3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethyl-azanium Openeye Name: 3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethyl-ammonium CAS Name: 3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethylammonium IUPAC Name: 3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethylazanium Traditional Name: 3-(6H-benzo[b][1,4]benzothiazepin-5-yl)propyl-dimethyl-ammonium Formula: C18H23N2S+ MolecularWeight: 299.45362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1CC2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

C[NH+](C)CCCN1CC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H22N2S/c1-19(2)12-7-13-20-14-15-8-3-5-10-17(15)21-18-11-6-4-9-16(18)20/h3-6,8-11H,7,12-14H2,1-2H3/p+1