[[[(2S)-1-(1H-benzimidazol-2-ylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-(cyclohexylamino)methylidene]-cyclohexyl-azanium

Systemtic Name: [[[(2S)-1-(1H-benzimidazol-2-ylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-(cyclohexylamino)methylidene]-cyclohexyl-azanium Openeye Name: [[[(1S)-2-(1H-benzimidazol-2-ylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-(cyclohexylamino)methylene]-cyclohexyl-ammonium CAS Name: [[[(2S)-1-(1H-benzimidazol-2-ylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-(cyclohexylamino)methylidene]-cyclohexylammonium IUPAC Name: [[[(2S)-1-(1H-benzimidazol-2-ylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-(cyclohexylamino)methylidene]-cyclohexylazanium Traditional Name: [[[(1S)-2-(1H-benzimidazol-2-ylamino)-2-keto-1-(2-naphthylmethyl)ethyl]amino]-(cyclohexylamino)methylene]-cyclohexyl-ammonium Formula: C33H41N6O+ MolecularWeight: 537.71824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=[NH+]C2CCCCC2)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)NC(=[NH+]C2CCCCC2)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C33H40N6O/c40-31(39-33-36-28-17-9-10-18-29(28)37-33)30(22-23-19-20-24-11-7-8-12-25(24)21-23)38-32(34-26-13-3-1-4-14-26)35-27-15-5-2-6-16-27/h7-12,17-21,26-27,30H,1-6,13-16,22H2,(H2,34,35,38)(H2,36,37,39,40)/p+1/t30-/m0/s1