4-(8-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoate; piperidin-1-ium

Systemtic Name: 4-(8-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)-4-oxidanylidene-butanoate; piperidin-1-ium Openeye Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxo-butanoate; piperidin-1-ium CAS Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoate; piperidin-1-ium IUPAC Name: 4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoate; piperidin-1-ium Traditional Name: 4-keto-4-(11-keto-8-methoxy-6H-benzo[c][1]benzothiepin-3-yl)butyrate; piperidin-1-ium Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)[O-])SC2.C1CC[NH2+]CC1

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)[O-])SC2.C1CC[NH2+]CC1

InChI

InChI=1S/C19H16O5S.C5H11N/c1-24-13-3-5-14-12(8-13)10-25-17-9-11(2-4-15(17)19(14)23)16(20)6-7-18(21)22;1-2-4-6-5-3-1/h2-5,8-9H,6-7,10H2,1H3,(H,21,22);6H,1-5H2