(5R)-1-[(3-methylphenyl)methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (5R)-1-[(3-methylphenyl)methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Openeye Name: (5R)-1-(m-tolylmethyl)-5-[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]azepan-2-one CAS Name: (5R)-1-[(3-methylphenyl)methyl]-5-[4-(pyridin-4-ylmethyl)-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(3-methylphenyl)methyl]-5-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]azepan-2-one Traditional Name: (5R)-1-(3-methylbenzyl)-5-[4-(4-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(=CC=C1)CN2CCC(CCC2=O)[NH+]3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCN(CC3)CC4=CC=NC=C4

InChI

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