(3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxo-2-(4-phenyl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-[2-oxo-2-(4-phenyl-1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenylpiperidino)ethyl]-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-one Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H33N3O3/c1-19-16-20(8-9-24(19)32-2)18-29-15-12-27-26(31)23(29)17-25(30)28-13-10-22(11-14-28)21-6-4-3-5-7-21/h3-9,16,22-23H,10-15,17-18H2,1-2H3,(H,27,31)/p+1/t23-/m1/s1