N-[(3-methylpyridin-4-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(3-methylpyridin-4-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(3-methyl-4-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(3-methyl-4-pyridinyl)methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(3-methylpyridin-4-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(3-methyl-4-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-21-19-28-15-11-24(21)20-29-27(31)23-7-9-25(10-8-23)32-26-13-17-30(18-14-26)16-12-22-5-3-2-4-6-22/h2-11,15,19,26H,12-14,16-18,20H2,1H3,(H,29,31)/p+1