N-(cyclopropylmethyl)-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(cyclopropylmethyl)-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(cyclopropylmethyl)-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(cyclopropylmethyl)-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopropylmethyl)-2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(cyclopropylmethyl)-2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3CC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3CC3)OC

InChI

InChI=1S/C19H27N3O4/c1-25-15-6-5-14(17(9-15)26-2)12-22-8-7-20-19(24)16(22)10-18(23)21-11-13-3-4-13/h5-6,9,13,16H,3-4,7-8,10-12H2,1-2H3,(H,20,24)(H,21,23)/p+1/t16-/m1/s1