1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C19H32N2+2 MolecularWeight: 288.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H30N2/c1-17-8-4-5-9-18(17)16-20-14-10-19(11-15-20)21-12-6-2-3-7-13-21/h4-5,8-9,19H,2-3,6-7,10-16H2,1H3/p+2