N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-3-methyl-5-(1-oxidanyl-4-propan-2-yl-pyridin-1-ium-3-yl)benzamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-3-methyl-5-(1-oxidanyl-4-propan-2-yl-pyridin-1-ium-3-yl)benzamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-3-(1-hydroxy-4-isopropyl-pyridin-1-ium-3-yl)-5-methyl-benzamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-(1-hydroxy-4-propan-2-yl-3-pyridin-1-iumyl)-5-methylbenzamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-(1-hydroxy-4-propan-2-ylpyridin-1-ium-3-yl)-5-methylbenzamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-3-(1-hydroxy-4-isopropyl-pyridin-1-ium-3-yl)-5-methyl-benzamide Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)C3=C(C=C[N+](=C3)O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)C3=C(C=C[N+](=C3)O)C(C)C

InChI

InChI=1S/C24H26ClN3O2/c1-15(2)22-6-7-28(30)14-23(22)18-8-16(3)9-19(10-18)24(29)27-13-20-11-21(25)5-4-17(20)12-26/h4-11,14-15H,12-13,26H2,1-3H3,(H-,27,29,30)/p+1