(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C17H26N4O3/c1-4-24-15-8-6-5-7-14(15)21-11-9-20(10-12-21)13(2)16(22)19-17(23)18-3/h5-8,13H,4,9-12H2,1-3H3,(H2,18,19,22,23)/p+1/t13-/m1/s1