[(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate; 2-oxidanidylbenzoate

Systemtic Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate; 2-oxidanidylbenzoate Openeye Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate; 2-oxidobenzoate CAS Name: N-methylcarbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] ester; 2-oxidobenzoate IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate; 2-oxidobenzoate Traditional Name: N-methylcarbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrol[2,3-b]indole-3,4-diium-7-yl] ester; 2-oxidobenzoate Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC[NH+](C1[NH+](C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)[O-])[O-]

Isomeric SMILES

C[C@@]12CC[NH+]([C@@H]1[NH+](C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)[O-])[O-]

InChI

InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1