N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-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)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-28-21-15-18(16-22(29-2)24(21)30-3)11-12-23(27)25-17-20(26-13-7-8-14-26)19-9-5-4-6-10-19/h4-6,9-10,15-16,20H,7-8,11-14,17H2,1-3H3,(H,25,27)/p+1/t20-/m1/s1