3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methyl-azanium dichloride

Systemtic Name: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methyl-azanium dichloride Openeye Name: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methyl-ammonium dichloride CAS Name: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methylammonium dichloride IUPAC Name: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methylazanium dichloride Traditional Name: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methyl-ammonium dichloride Formula: C17H23Cl2N3 MolecularWeight: 340.29062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCN1C2=CC=CC=C2C[NH2+]C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

C[NH2+]CCCN1C2=CC=CC=C2C[NH2+]C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/C17H21N3.2ClH/c1-18-11-6-12-20-16-9-4-2-7-14(16)13-19-15-8-3-5-10-17(15)20;;/h2-5,7-10,18-19H,6,11-13H2,1H3;2*1H