(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)-(2-oxidanylidene-1-phenylmethoxy-pyrrolidin-1-ium-1-yl)carbamic acid

Systemtic Name: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)-(2-oxidanylidene-1-phenylmethoxy-pyrrolidin-1-ium-1-yl)carbamic acid Openeye Name: (1-benzyloxy-2-oxo-pyrrolidin-1-ium-1-yl)-(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)carbamic acid CAS Name: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)-(2-oxo-1-phenylmethoxy-1-pyrrolidin-1-iumyl)carbamic acid IUPAC Name: (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)-(2-oxo-1-phenylmethoxypyrrolidin-1-ium-1-yl)carbamic acid Traditional Name: (1-benzoxy-2-keto-pyrrolidin-1-ium-1-yl)-(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-yl)carbamic acid Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCN(C1N(C3=C2C=C(C=C3)N(C(=O)O)[N+]4(CCCC4=O)OCC5=CC=CC=C5)C)C

Isomeric SMILES

CC12CCN(C1N(C3=C2C=C(C=C3)N(C(=O)O)[N+]4(CCCC4=O)OCC5=CC=CC=C5)C)C

InChI

InChI=1S/C25H30N4O4/c1-25-13-14-26(2)23(25)27(3)21-12-11-19(16-20(21)25)28(24(31)32)29(15-7-10-22(29)30)33-17-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,23H,7,10,13-15,17H2,1-3H3/p+1