1-(4-methylpiperidin-1-yl)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[3-(1-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone Traditional Name: 1-(4-methylpiperidino)-2-(3-piperazin-4-ium-1-ylphenyl)ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2=CC(=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-5-9-21(10-6-15)18(22)14-16-3-2-4-17(13-16)20-11-7-19-8-12-20/h2-4,13,15,19H,5-12,14H2,1H3/p+1