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

Systemtic Name: (2-methyl-3-piperazin-4-ium-1-yl-phenyl)-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: (2-methyl-3-piperazin-4-ium-1-yl-phenyl)-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [2-methyl-3-(1-piperazin-4-iumyl)phenyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: (2-methyl-3-piperazin-4-ium-1-ylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: (2-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=C(C(=CC=C2)N3CC[NH2+]CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-14-5-4-10-21(13-14)18(22)16-6-3-7-17(15(16)2)20-11-8-19-9-12-20/h3,6-7,14,19H,4-5,8-13H2,1-2H3/p+1/t14-/m0/s1