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

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-16(20(26)23-21(27)22-17-6-4-3-5-7-17)24-12-14-25(15-13-24)18-8-10-19(28-2)11-9-18/h8-11,16-17H,3-7,12-15H2,1-2H3,(H2,22,23,26,27)/p+1/t16-/m1/s1