(4-methyl-3-piperazin-4-ium-1-yl-phenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-14-4-3-9-21(13-14)18(22)16-6-5-15(2)17(12-16)20-10-7-19-8-11-20/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3/p+1/t14-/m0/s1