3,4,5-trimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-27-20-14-18(15-21(28-2)22(20)29-3)23(26)24-19-10-7-12-25(16-19)13-11-17-8-5-4-6-9-17/h4-6,8-9,14-15,19H,7,10-13,16H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1