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

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

Systemtic Name:1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium
Openeye Name:1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium
CAS Name:1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium
IUPAC Name:1-[(1S,3S)-3-methylcyclohexyl]-4-[(4-nitrophenyl)methyl]piperazin-1-ium
Traditional Name:1-[(1S,3S)-3-methylcyclohexyl]-4-(4-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=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C18H27N3O2/c1-15-3-2-4-18(13-15)20-11-9-19(10-12-20)14-16-5-7-17(8-6-16)21(22)23/h5-8,15,18H,2-4,9-14H2,1H3/p+1/t15-,18-/m0/s1


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