N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-isopropyl-2-(4-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(4-methoxyphenyl)-6-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-isopropyl-2-(4-methoxyphenyl)cinchoninamide Formula: C29H38N3O2+ MolecularWeight: 460.63092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H37N3O2/c1-21(2)23-11-14-27-25(19-23)26(20-28(31-27)22-9-12-24(34-3)13-10-22)29(33)30-15-8-18-32-16-6-4-5-7-17-32/h9-14,19-21H,4-8,15-18H2,1-3H3,(H,30,33)/p+1