1-[(2,4-dichlorophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide hydrate

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide hydrate Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide hydrate CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide hydrate IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide hydrate Traditional Name: 1-(2,4-dichlorobenzyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium bromide hydrate Formula: C21H23BrCl2N2O MolecularWeight: 470.23012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl.O.[Br-]

Isomeric SMILES

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl.O.[Br-]

InChI

InChI=1S/C21H21Cl2N2.BrH.H2O/c22-18-11-10-17(19(23)13-18)14-24-15-20(16-7-3-1-4-8-16)25-12-6-2-5-9-21(24)25;;/h1,3-4,7-8,10-11,13,15H,2,5-6,9,12,14H2;1H;1H2/q+1;;/p-1