[7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-yl]carbonyl-oxidanidyl-azanium

Systemtic Name: [7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-yl]carbonyl-oxidanidyl-azanium Openeye Name: [7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonyl]-oxido-ammonium CAS Name: [[7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-yl]-oxomethyl]-oxidoammonium IUPAC Name: [7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonyl]-oxidoazanium Traditional Name: [7-butoxy-11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonyl]-oxido-ammonium Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCCN(C)C)C(=O)[NH2+][O-]

Isomeric SMILES

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCCN(C)C)C(=O)[NH2+][O-]

InChI

InChI=1S/C24H32N2O3S/c1-4-5-16-29-21-12-8-11-19-18(21)17-30-22-13-7-6-10-20(22)24(19,23(27)25-28)14-9-15-26(2)3/h6-8,10-13H,4-5,9,14-17,25H2,1-3H3