1-methyl-4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C18H32N3+3 MolecularWeight: 290.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C

InChI

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