[(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C25H32N4O2+2 MolecularWeight: 420.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])[NH2+]C4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])[NH2+]C4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c30-29(31)20-9-10-23-22(17-20)21-7-4-8-24(25(21)27-23)26-19-12-15-28(16-13-19)14-11-18-5-2-1-3-6-18/h1-3,5-6,9-10,17,19,24,26-27H,4,7-8,11-16H2/p+2/t24-/m0/s1