(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH2+]C(C)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH2+][C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S/c1-3-27-22-13-12-20(30(28,29)26-14-8-5-9-15-26)16-21(22)25-23(27)17-24-18(2)19-10-6-4-7-11-19/h4,6-7,10-13,16,18,24H,3,5,8-9,14-15,17H2,1-2H3/p+1/t18-/m1/s1