1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(2-nitrobenzyl)piperazin-1-ium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O2/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18(16)21(22)23/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/p+1/t15-,17-/m0/s1