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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]acetamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]acetamide Formula: C24H40N4O3+2 MolecularWeight: 432.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3CC[NH+](CC3)C(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3CC[NH+](CC3)C(C)C)OC

InChI

InChI=1S/C24H38N4O3/c1-17(2)27-10-7-19(8-11-27)15-26-23(29)14-21-24(30)25-9-12-28(21)16-20-5-6-22(31-4)18(3)13-20/h5-6,13,17,19,21H,7-12,14-16H2,1-4H3,(H,25,30)(H,26,29)/p+2/t21-/m1/s1