[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C[NH2+]CCCN4C=CN=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C20H24N4O2/c1-15-10-17(12-21-6-3-8-23-9-7-22-13-23)16(2)24(15)18-4-5-19-20(11-18)26-14-25-19/h4-5,7,9-11,13,21H,3,6,8,12,14H2,1-2H3/p+1