N-(oxan-4-yl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-(oxan-4-yl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-tetrahydropyran-4-yl-benzamide CAS Name: N-(4-oxanyl)-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-(oxan-4-yl)-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-tetrahydropyran-4-yl-benzamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c28-25(26-22-13-18-29-19-14-22)21-6-8-23(9-7-21)30-24-11-16-27(17-12-24)15-10-20-4-2-1-3-5-20/h1-9,22,24H,10-19H2,(H,26,28)/p+1