N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C24H32N2O4/c1-28-21-14-20(15-22(29-2)24(21)30-3)10-11-23(27)25-16-18-6-8-19(9-7-18)17-26-12-4-5-13-26/h6-9,14-15H,4-5,10-13,16-17H2,1-3H3,(H,25,27)/p+1