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

Systemtic Name: azepan-1-yl-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H39N3O/c1-21-8-4-5-9-23(21)20-26-16-12-24(13-17-26)27-18-10-22(11-19-27)25(29)28-14-6-2-3-7-15-28/h4-5,8-9,22,24H,2-3,6-7,10-20H2,1H3/p+2