1H-benzimidazol-2-ylmethyl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(3S)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1[C@@H](CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O/c26-21-13-17(15-25(21)12-6-9-16-7-2-1-3-8-16)22-14-20-23-18-10-4-5-11-19(18)24-20/h1-5,7-8,10-11,17,22H,6,9,12-15H2,(H,23,24)/p+1/t17-/m0/s1