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

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3/c1-6-27-17-10-8-7-9-16(17)24-13-11-23(12-14-24)15(2)18(25)21-19(26)22-20(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H2,21,22,25,26)/p+1/t15-/m1/s1