(3S)-3-methyl-1-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-4-ium Openeye Name: (3S)-3-methyl-1-[4-nitro-3-(1-piperidyl)phenyl]piperazin-4-ium CAS Name: (3S)-3-methyl-1-[4-nitro-3-(1-piperidinyl)phenyl]piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-(4-nitro-3-piperidin-1-ylphenyl)piperazin-4-ium Traditional Name: (3S)-3-methyl-1-(4-nitro-3-piperidino-phenyl)piperazin-4-ium Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H24N4O2/c1-13-12-19(10-7-17-13)14-5-6-15(20(21)22)16(11-14)18-8-3-2-4-9-18/h5-6,11,13,17H,2-4,7-10,12H2,1H3/p+1/t13-/m0/s1