(5R)-1-[(4-methylphenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5R)-1-[(4-methylphenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Openeye Name: (5R)-1-(p-tolylmethyl)-5-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]azepan-2-one CAS Name: (5R)-1-[(4-methylphenyl)methyl]-5-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(4-methylphenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Traditional Name: (5R)-1-(4-methylbenzyl)-5-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]azepan-2-one Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H32N4O/c1-20-5-7-21(8-6-20)18-28-13-11-23(9-10-24(28)29)27-16-14-26(15-17-27)19-22-4-2-3-12-25-22/h2-8,12,23H,9-11,13-19H2,1H3/p+1/t23-/m1/s1