[3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-yl] carbamate

Systemtic Name: [3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-yl] carbamate Openeye Name: [3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-yl] carbamate CAS Name: carbamic acid [3-[3-(diethylamino)propyl-methylamino]-3-phenyl-4-benzimidazol-3-iumyl] ester IUPAC Name: [3-[3-(diethylamino)propyl-methylamino]-3-phenylbenzimidazol-3-ium-4-yl] carbamate Traditional Name: carbamic acid [3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-yl] ester Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN(C)[N+]1(C=NC2=C1C(=CC=C2)OC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCN(C)[N+]1(C=NC2=C1C(=CC=C2)OC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-4-26(5-2)16-10-15-25(3)27(18-11-7-6-8-12-18)17-24-19-13-9-14-20(21(19)27)29-22(23)28/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H-,23,28)/p+1