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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-14-4-3-9-21(13-14)18(22)16-5-6-17(15(2)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