[9-chloranyl-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepin-11-yl]carbonyl-oxidanidyl-azanium

Systemtic Name: [9-chloranyl-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepin-11-yl]carbonyl-oxidanidyl-azanium Openeye Name: [9-chloro-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepine-11-carbonyl]-oxido-ammonium CAS Name: [[9-chloro-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepin-11-yl]-oxomethyl]-oxidoammonium IUPAC Name: [9-chloro-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepine-11-carbonyl]-oxidoazanium Traditional Name: [9-chloro-11-[3-[methyl(propyl)amino]propyl]-6H-benzo[c][1]benzothiepin-11-carbonyl]-oxido-ammonium Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)CCCC1(C2=CC=CC=C2SCC3=C1C=C(C=C3)Cl)C(=O)[NH2+][O-]

Isomeric SMILES

CCCN(C)CCCC1(C2=CC=CC=C2SCC3=C1C=C(C=C3)Cl)C(=O)[NH2+][O-]

InChI

InChI=1S/C22H27ClN2O2S/c1-3-12-25(2)13-6-11-22(21(26)24-27)18-7-4-5-8-20(18)28-15-16-9-10-17(23)14-19(16)22/h4-5,7-10,14H,3,6,11-13,15,24H2,1-2H3