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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-2-benzimidazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=NC4=CC=CC=C4N3C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=NC4=CC=CC=C4N3C)OC

InChI

InChI=1S/C24H29N5O3/c1-16-12-17(8-9-21(16)32-3)15-29-11-10-25-24(31)20(29)13-23(30)26-14-22-27-18-6-4-5-7-19(18)28(22)2/h4-9,12,20H,10-11,13-15H2,1-3H3,(H,25,31)(H,26,30)/p+1/t20-/m1/s1