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

Systemtic Name: 1-(3-methylphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Openeye Name: 1-(m-tolyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium CAS Name: 1-(3-methylphenyl)-4-[[(3S)-3-piperidin-1-iumyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-methylphenyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Traditional Name: 1-(m-tolyl)-4-[[(3S)-piperidin-1-ium-3-yl]methyl]piperazin-4-ium Formula: C17H29N3+2 MolecularWeight: 275.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3CCC[NH2+]C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)C[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h2,4,6,12,16,18H,3,5,7-11,13-14H2,1H3/p+2/t16-/m0/s1