2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]acetamide Formula: C20H29N5O3+2 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC3=[NH+]C=C(N3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=[NH+]C=C(N3)C

InChI

InChI=1S/C20H27N5O3/c1-3-28-17-7-5-4-6-15(17)13-25-9-8-21-20(27)16(25)10-19(26)23-12-18-22-11-14(2)24-18/h4-7,11,16H,3,8-10,12-13H2,1-2H3,(H,21,27)(H,22,24)(H,23,26)/p+2/t16-/m1/s1