N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-prop-2-enoxy-benzamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-prop-2-enoxy-benzamide Openeye Name: 3-allyloxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-prop-2-enoxybenzamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-prop-2-enoxybenzamide Traditional Name: 3-allyloxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OCC=C

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C24H30N2O2/c1-3-17-28-23-13-7-11-21(18-23)24(27)25(2)22-12-8-15-26(19-22)16-14-20-9-5-4-6-10-20/h3-7,9-11,13,18,22H,1,8,12,14-17,19H2,2H3/p+1/t22-/m0/s1