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

Systemtic Name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-methyl-N-[(3-methyl-4-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-methyl-N-[(3-methyl-4-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O2/c1-22-20-29-16-12-25(22)21-30(2)28(32)24-8-10-26(11-9-24)33-27-14-18-31(19-15-27)17-13-23-6-4-3-5-7-23/h3-12,16,20,27H,13-15,17-19,21H2,1-2H3/p+1