(6-chloranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (6-chloranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-chloro-2-methyl-3-quinolyl)methanone CAS Name: (6-chloro-2-methyl-3-quinolinyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-chloro-2-methylquinolin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(6-chloro-2-methyl-3-quinolyl)methanone Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O/c1-17-21(15-19-14-20(24)8-9-22(19)25-17)23(28)27-11-5-10-26(12-13-27)16-18-6-3-2-4-7-18/h2-4,6-9,14-15H,5,10-13,16H2,1H3/p+1