[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3/c1-14-3-2-4-17(13-14)19-9-11-20(12-10-19)18(22)15-5-7-16(8-6-15)21(23)24/h5-8,14,17H,2-4,9-13H2,1H3/p+1/t14-,17+/m0/s1