N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-15-4-2-3-5-18(15)20-19(24)14-21-10-12-22(13-11-21)16-6-8-17(9-7-16)23(25)26/h6-9,15,18H,2-5,10-14H2,1H3,(H,20,24)/p+1/t15-,18-/m0/s1