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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-2-imidazolyl)methyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N(CC3=NC=CN3C)C(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(CC3=NC=CN3C)C(C)C)OC

InChI

InChI=1S/C23H33N5O3/c1-16(2)28(15-21-24-8-10-26(21)4)22(29)13-19-23(30)25-9-11-27(19)14-18-6-7-20(31-5)17(3)12-18/h6-8,10,12,16,19H,9,11,13-15H2,1-5H3,(H,25,30)/p+1/t19-/m1/s1