3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidanidylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidanidylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidopyridin-1-ium-2-yl)propanamide CAS Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxido-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidopyridin-1-ium-2-yl)propanamide Traditional Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-(1-oxidopyridin-1-ium-2-yl)propionamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(CC(=O)NCCCCC2=CN=CN2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(CC(=O)NCCCCC2=CN=CN2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C21H23ClN4O2/c22-17-9-7-16(8-10-17)19(20-6-2-4-12-26(20)28)13-21(27)24-11-3-1-5-18-14-23-15-25-18/h2,4,6-10,12,14-15,19H,1,3,5,11,13H2,(H,23,25)(H,24,27)