2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-methyl-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]cinchoninamide Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H23N3O/c1-16-14-20(19-6-2-3-7-21(19)23-16)22(26)24-18-10-8-17(9-11-18)15-25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,24,26)/p+1