(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3R)-3-hydroxy-3-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-1-(m-tolylmethyl)piperidin-2-one CAS Name: (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-2-piperidinone IUPAC Name: (3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3R)-3-hydroxy-3-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-1-(3-methylbenzyl)-2-piperidone Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(CN3CC[NH+](CC3)C(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@](C2=O)(CN3CC[NH+](CC3)C(C)C)O

InChI

InChI=1S/C21H33N3O2/c1-17(2)23-12-10-22(11-13-23)16-21(26)8-5-9-24(20(21)25)15-19-7-4-6-18(3)14-19/h4,6-7,14,17,26H,5,8-13,15-16H2,1-3H3/p+1/t21-/m1/s1