[(3aS,8bS)-3,4,8b-trimethyl-3-oxidanidyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate hydrochloride

Systemtic Name: [(3aS,8bS)-3,4,8b-trimethyl-3-oxidanidyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate hydrochloride Openeye Name: [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate hydrochloride CAS Name: N-heptylcarbamic acid [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] ester hydrochloride IUPAC Name: [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-heptylcarbamate hydrochloride Traditional Name: N-heptylcarbamic acid [(3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrol[2,3-b]indol-3-ium-7-yl] ester hydrochloride Formula: C21H34ClN3O3 MolecularWeight: 411.96596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C2(CC[N+]3(C)[O-])C)C.Cl

Isomeric SMILES

CCCCCCCNC(=O)OC1=CC2=C(C=C1)N([C@@H]3[C@]2(CC[N+]3(C)[O-])C)C.Cl

InChI

InChI=1S/C21H33N3O3.ClH/c1-5-6-7-8-9-13-22-20(25)27-16-10-11-18-17(15-16)21(2)12-14-24(4,26)19(21)23(18)3;/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25);1H/t19-,21-,24?;/m0./s1