8-chloranyl-11-piperidin-1-ium-1-ylidene-5H-[1]benzothiepino[4,3-b]pyridine

Systemtic Name: 8-chloranyl-11-piperidin-1-ium-1-ylidene-5H-[1]benzothiepino[4,3-b]pyridine Openeye Name: 8-chloro-11-piperidin-1-ium-1-ylidene-5H-[1]benzothiepino[4,3-b]pyridine CAS Name: 8-chloro-11-(1-piperidin-1-iumylidene)-5H-[1]benzothiepino[4,3-b]pyridine IUPAC Name: 8-chloro-11-piperidin-1-ium-1-ylidene-5H-[1]benzothiepino[4,3-b]pyridine Traditional Name: 8-chloro-11-piperidin-1-ium-1-ylidene-5H-[1]benzothiepino[4,3-b]pyridine Formula: C18H18ClN2S+ MolecularWeight: 329.86692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=C(C=C(C=C3)Cl)SCC4=C2N=CC=C4)CC1

Isomeric SMILES

C1CC[N+](=C2C3=C(C=C(C=C3)Cl)SCC4=C2N=CC=C4)CC1

InChI

InChI=1S/C18H18ClN2S/c19-14-6-7-15-16(11-14)22-12-13-5-4-8-20-17(13)18(15)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2/q+1