(4-methyl-1,4-diazepan-4-ium-1-yl)-(2-naphthalen-1-ylquinolin-4-yl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2-naphthalen-1-ylquinolin-4-yl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(1-naphthyl)-4-quinolyl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(1-naphthalenyl)-4-quinolinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2-naphthalen-1-ylquinolin-4-yl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(1-naphthyl)-4-quinolyl]methanone Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N3O/c1-28-14-7-15-29(17-16-28)26(30)23-18-25(27-24-13-5-4-11-22(23)24)21-12-6-9-19-8-2-3-10-20(19)21/h2-6,8-13,18H,7,14-17H2,1H3/p+1