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

Systemtic Name: 4-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]carbonylpiperazin-2-one Openeye Name: 4-[1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]piperazin-2-one CAS Name: 4-[[1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]piperazin-2-one Traditional Name: 4-[1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]piperazin-2-one Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C23H34N4O2/c1-18-4-2-3-5-20(18)16-25-11-8-21(9-12-25)26-13-6-19(7-14-26)23(29)27-15-10-24-22(28)17-27/h2-5,19,21H,6-17H2,1H3,(H,24,28)/p+2