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

Systemtic Name: N-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C28H37N2O3+ MolecularWeight: 449.60498

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3)O

Isomeric SMILES

C=CCC(CC=C)(CNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C28H36N2O3/c1-3-17-28(32,18-4-2)22-29-27(31)24-10-12-25(13-11-24)33-26-15-20-30(21-16-26)19-14-23-8-6-5-7-9-23/h3-13,26,32H,1-2,14-22H2,(H,29,31)/p+1