1-(3-chlorophenyl)-4-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-isobutylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(2-methylpropyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-isobutylpiperidin-1-ium-3-yl]piperazine Formula: C19H31ClN3+ MolecularWeight: 336.92254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC(C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H30ClN3/c1-16(2)14-21-8-4-7-19(15-21)23-11-9-22(10-12-23)18-6-3-5-17(20)13-18/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3/p+1/t19-/m0/s1