1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium

Systemtic Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium Openeye Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium CAS Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium IUPAC Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium Traditional Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium Formula: C18H20ClN2+ MolecularWeight: 299.8178

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(CCCC1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(N(CCCC1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H20ClN2/c1-20-13-5-6-14-21(17-11-9-16(19)10-12-17)18(20)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3/q+1