1-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

InChI

InChI=1S/C20H30N4O/c1-20(2,3)18(25)15-24-17-10-6-5-9-16(17)23(19(24)21)14-13-22-11-7-4-8-12-22/h5-6,9-10,21H,4,7-8,11-15H2,1-3H3/p+2