4-methyl-2-oxidanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-methyl-2-oxidanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-hydroxy-4-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-hydroxy-4-methyl-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-hydroxy-4-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-hydroxy-4-methyl-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3)O

InChI

InChI=1S/C18H21N3O2/c1-13-4-6-15(16(22)10-13)18(23)20-12-14-5-7-17(19-11-14)21-8-2-3-9-21/h4-7,10-11,22H,2-3,8-9,12H2,1H3,(H,20,23)/p+1