2-(4-methoxyphenyl)-4-(2-piperidin-1-ium-1-ylethyl)pyrrolo[1,2-a]benzimidazole

Systemtic Name: 2-(4-methoxyphenyl)-4-(2-piperidin-1-ium-1-ylethyl)pyrrolo[1,2-a]benzimidazole Openeye Name: 2-(4-methoxyphenyl)-4-(2-piperidin-1-ium-1-ylethyl)pyrrolo[1,2-a]benzimidazole CAS Name: 2-(4-methoxyphenyl)-4-[2-(1-piperidin-1-iumyl)ethyl]pyrrolo[1,2-a]benzimidazole IUPAC Name: 2-(4-methoxyphenyl)-4-(2-piperidin-1-ium-1-ylethyl)pyrrolo[1,2-a]benzimidazole Traditional Name: 2-(4-methoxyphenyl)-4-(2-piperidin-1-ium-1-ylethyl)pyrrolo[1,2-a]benzimidazole Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N(C3=C2)CC[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N(C3=C2)CC[NH+]5CCCCC5

InChI

InChI=1S/C24H27N3O/c1-28-21-11-9-19(10-12-21)20-17-24-26(16-15-25-13-5-2-6-14-25)22-7-3-4-8-23(22)27(24)18-20/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3/p+1