3,4-dimethoxy-5-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4-dimethoxy-5-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-allyl-4,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4-dimethoxy-5-prop-2-enyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-5-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-allyl-4,5-dimethoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C24H30N2O3/c1-4-9-18-14-21(15-22(28-2)23(18)29-3)24(27)25-16-19-10-5-6-11-20(19)17-26-12-7-8-13-26/h4-6,10-11,14-15H,1,7-9,12-13,16-17H2,2-3H3,(H,25,27)/p+1