(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-isopropyl-ammonium CAS Name: [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-propan-2-ylazanium Traditional Name: benzyl-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-isopropyl-ammonium Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H34N4O2S/c1-4-29-24-14-13-22(32(30,31)28-15-9-6-10-16-28)17-23(24)26-25(29)19-27(20(2)3)18-21-11-7-5-8-12-21/h5,7-8,11-14,17,20H,4,6,9-10,15-16,18-19H2,1-3H3/p+1