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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CC2=CC=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CC2=CC=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-3-2-10-21(14-15)18(22)13-16-4-6-17(7-5-16)20-11-8-19-9-12-20/h4-7,15,19H,2-3,8-14H2,1H3/p+1/t15-/m0/s1