2-chloranyl-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium

Systemtic Name: 2-chloranyl-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium Openeye Name: 2-chloro-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium CAS Name: 2-chloro-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium IUPAC Name: 2-chloro-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium Traditional Name: 2-chloro-5-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepin-5-ium Formula: C19H18ClN2S+ MolecularWeight: 341.87762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(=C1)[N+]2=CC3=CC=CC=C3SC4=C2C=CC(=C4)Cl

Isomeric SMILES

CN1CCCC(=C1)[N+]2=CC3=CC=CC=C3SC4=C2C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN2S/c1-21-10-4-6-16(13-21)22-12-14-5-2-3-7-18(14)23-19-11-15(20)8-9-17(19)22/h2-3,5,7-9,11-13H,4,6,10H2,1H3/q+1