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

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C22H34N4O3/c1-3-29-20-12-8-7-11-19(20)26-15-13-25(14-16-26)17(2)21(27)24-22(28)23-18-9-5-4-6-10-18/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3,(H2,23,24,27,28)/p+1/t17-/m1/s1