[4-(3-methylphenyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: [4-(m-tolyl)piperazino]-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCC[NH2+]C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H25N3O/c1-14-4-2-6-16(12-14)19-8-10-20(11-9-19)17(21)15-5-3-7-18-13-15/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3/p+1/t15-/m0/s1