N-cyclopropyl-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-cyclopropyl-cinchoninamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c30-25(26-20-11-12-20)22-17-24(27-23-10-5-4-9-21(22)23)29-14-6-13-28(15-16-29)18-19-7-2-1-3-8-19/h1-5,7-10,17,20H,6,11-16,18H2,(H,26,30)/p+1