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

Systemtic Name: 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-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=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H30N2/c1-17-7-6-8-18(15-17)16-20-13-9-19(10-14-20)21-11-4-2-3-5-12-21/h6-8,15,19H,2-5,9-14,16H2,1H3/p+2