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

Systemtic Name: 3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Openeye Name: 3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide CAS Name: 3-[3-(diethylamino)propyl-methylamino]-3-phenyl-4-benzimidazol-3-iumcarboxamide IUPAC Name: 3-[3-(diethylamino)propyl-methylamino]-3-phenylbenzimidazol-3-ium-4-carboxamide Traditional Name: 3-[3-(diethylamino)propyl-methyl-amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN(C)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCN(C)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O/c1-4-26(5-2)16-10-15-25(3)27(18-11-7-6-8-12-18)17-24-20-14-9-13-19(21(20)27)22(23)28/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H-,23,28)/p+1