N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1-methyl-2-benzimidazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-piperonylamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN(CC[NH+]3CCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN(CC[NH+]3CCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O3/c1-25-19-7-3-2-6-18(19)24-22(25)15-27(13-12-26-10-4-5-11-26)23(28)17-8-9-20-21(14-17)30-16-29-20/h2-3,6-9,14H,4-5,10-13,15-16H2,1H3/p+1