(1R)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: (1R)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: (1R)-6-benzyloxy-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: (1R)-1-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: (1R)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: (1R)-6-benzoxy-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C29H28N5O4+ MolecularWeight: 510.56372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)CN6C=C(C=N6)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)CN6C=C(C=N6)[N+](=O)[O-]

InChI

InChI=1S/C29H27N5O4/c1-37-27-10-7-20(13-21(27)16-33-17-22(15-31-33)34(35)36)28-29-24(11-12-30-28)25-14-23(8-9-26(25)32-29)38-18-19-5-3-2-4-6-19/h2-10,13-15,17,28,30,32H,11-12,16,18H2,1H3/p+1/t28-/m1/s1