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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H29N3/c1-16-4-3-5-17(14-16)15-20-8-6-18(7-9-20)21-12-10-19(2)11-13-21/h3-5,14,18H,6-13,15H2,1-2H3/p+2