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

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H30N4O3/c1-14(17(24)20-18(25)21-19(2,3)4)22-10-12-23(13-11-22)15-6-8-16(26-5)9-7-15/h6-9,14H,10-13H2,1-5H3,(H2,20,21,24,25)/p+1/t14-/m1/s1