3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-enyl-N-prop-2-ynyl-benzamide

Systemtic Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-enyl-N-prop-2-ynyl-benzamide Openeye Name: N-allyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-ynyl-benzamide CAS Name: 3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-prop-2-enyl-N-prop-2-ynylbenzamide IUPAC Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide Traditional Name: N-allyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-propargyl-benzamide Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN(CC#C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O2/c1-3-16-28(17-4-2)26(29)23-11-8-12-25(21-23)30-24-14-19-27(20-15-24)18-13-22-9-6-5-7-10-22/h1,4-12,21,24H,2,13-20H2/p+1