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

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H30N4O3/c1-15(19(26)22-20(27)21-16-5-3-2-4-6-16)23-11-13-24(14-12-23)17-7-9-18(25)10-8-17/h7-10,15-16,25H,2-6,11-14H2,1H3,(H2,21,22,26,27)/p+1/t15-/m1/s1