[(1S)-1-(4-ethylphenyl)ethyl]-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)ethyl]-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)ethyl]-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)ethyl]-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)ethyl]-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)ethyl]-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]ammonium Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)[NH2+]CC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)[NH2+]CC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O2S/c1-4-20-9-11-21(12-10-20)19(3)26-18-25-27-23-17-22(13-14-24(23)29(25)5-2)32(30,31)28-15-7-6-8-16-28/h9-14,17,19,26H,4-8,15-16,18H2,1-3H3/p+1/t19-/m0/s1