1-(3-methylphenyl)-4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]piperazin-4-ium

Systemtic Name: 1-(3-methylphenyl)-4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]piperazin-4-ium Openeye Name: 1-(m-tolyl)-4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]piperazin-4-ium CAS Name: 1-(3-methylphenyl)-4-[2-[(2R)-2-piperidin-1-iumyl]ethyl]piperazin-4-ium IUPAC Name: 1-(3-methylphenyl)-4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]piperazin-4-ium Traditional Name: 1-(m-tolyl)-4-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]piperazin-4-ium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC3CCCC[NH2+]3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC[C@H]3CCCC[NH2+]3

InChI

InChI=1S/C18H29N3/c1-16-5-4-7-18(15-16)21-13-11-20(12-14-21)10-8-17-6-2-3-9-19-17/h4-5,7,15,17,19H,2-3,6,8-14H2,1H3/p+2/t17-/m1/s1