N-(3-imidazol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H27N5O3/c1-28-17-5-2-4-16(12-17)14-25-11-8-23-20(27)18(25)13-19(26)22-6-3-9-24-10-7-21-15-24/h2,4-5,7,10,12,15,18H,3,6,8-9,11,13-14H2,1H3,(H,22,26)(H,23,27)/p+1/t18-/m1/s1