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

Systemtic Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H31N5O2/c1-16-6-2-3-8-18(16)22-20(27)23-19(26)15-25-12-10-24(11-13-25)14-17-7-4-5-9-21-17/h4-5,7,9,16,18H,2-3,6,8,10-15H2,1H3,(H2,22,23,26,27)/p+1/t16-,18+/m0/s1