8-methoxy-11-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride

Systemtic Name: 8-methoxy-11-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride Openeye Name: 8-methoxy-11-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride CAS Name: 8-methoxy-11-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride IUPAC Name: 8-methoxy-11-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride Traditional Name: 8-methoxy-11-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-6H-benzo[c][1]benzothiepin-11-ol chloride Formula: C27H30ClNO3S MolecularWeight: 484.05

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C3=CC=CC=C3SC2)(C4=CC=C(C=C4)OCC[NH+]5CCCC5)O.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(C3=CC=CC=C3SC2)(C4=CC=C(C=C4)OCC[NH+]5CCCC5)O.[Cl-]

InChI

InChI=1S/C27H29NO3S.ClH/c1-30-23-12-13-24-20(18-23)19-32-26-7-3-2-6-25(26)27(24,29)21-8-10-22(11-9-21)31-17-16-28-14-4-5-15-28;/h2-3,6-13,18,29H,4-5,14-17,19H2,1H3;1H