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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CC[NH2+]CC3

InChI

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