[(3aS,8bR)-2-cyclohexyl-8b-ethoxycarbonyl-7-methoxy-4-methyl-3-oxidanylidene-1H-pyrrolo[3,4-b]indol-3a-yl]azanium

Systemtic Name: [(3aS,8bR)-2-cyclohexyl-8b-ethoxycarbonyl-7-methoxy-4-methyl-3-oxidanylidene-1H-pyrrolo[3,4-b]indol-3a-yl]azanium Openeye Name: [(3aS,8bR)-2-cyclohexyl-8b-ethoxycarbonyl-7-methoxy-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-3a-yl]ammonium CAS Name: [(3aS,8bR)-2-cyclohexyl-8b-ethoxycarbonyl-7-methoxy-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-3a-yl]ammonium IUPAC Name: [(3aS,8bR)-2-cyclohexyl-8b-ethoxycarbonyl-7-methoxy-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-3a-yl]azanium Traditional Name: [(3aS,8bR)-8b-carbethoxy-2-cyclohexyl-3-keto-7-methoxy-4-methyl-1H-pyrrol[3,4-b]indol-3a-yl]ammonium Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CN(C(=O)C1(N(C3=C2C=C(C=C3)OC)C)[NH3+])C4CCCCC4

Isomeric SMILES

CCOC(=O)[C@]12CN(C(=O)[C@]1(N(C3=C2C=C(C=C3)OC)C)[NH3+])C4CCCCC4

InChI

InChI=1S/C21H29N3O4/c1-4-28-19(26)20-13-24(14-8-6-5-7-9-14)18(25)21(20,22)23(2)17-11-10-15(27-3)12-16(17)20/h10-12,14H,4-9,13,22H2,1-3H3/p+1/t20-,21-/m1/s1