N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O2/c1-16-7-5-6-10-18(16)21-20(26)22-19(25)15-23-11-13-24(14-12-23)17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3,(H2,21,22,25,26)/p+1/t16-,18+/m0/s1