2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-oxanylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3CCOCC3)OC

InChI

InChI=1S/C21H31N3O4/c1-15-11-17(3-4-19(15)27-2)14-24-8-7-22-21(26)18(24)12-20(25)23-13-16-5-9-28-10-6-16/h3-4,11,16,18H,5-10,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1