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

Systemtic Name: 3,4,5-trimethoxy-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)22(25)23-15-18(24-11-7-8-12-24)16-9-5-4-6-10-16/h4-6,9-10,13-14,18H,7-8,11-12,15H2,1-3H3,(H,23,25)/p+1/t18-/m1/s1