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

Systemtic Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-enyl-N-prop-2-ynyl-benzamide Openeye Name: N-allyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-ynyl-benzamide CAS Name: 4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-prop-2-enyl-N-prop-2-ynylbenzamide IUPAC Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide Traditional Name: N-allyl-4-(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=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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