[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-cyclopentyl-dimethyl-azanium

Systemtic Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-cyclopentyl-dimethyl-azanium Openeye Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-cyclopentyl-dimethyl-ammonium CAS Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-cyclopentyl-dimethylammonium IUPAC Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-cyclopentyl-dimethylazanium Traditional Name: cyclopentyl-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]-dimethyl-ammonium Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+](C)(C)C4CCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+](C)(C)C4CCCC4

InChI

InChI=1S/C23H31N2O3/c1-16-11-20(21(26)14-25(3,4)19-7-5-6-8-19)17(2)24(16)13-18-9-10-22-23(12-18)28-15-27-22/h9-12,19H,5-8,13-15H2,1-4H3/q+1