(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(5-nitro-1-benzothiophen-2-yl)carbonyl]azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(5-nitro-1-benzothiophen-2-yl)carbonyl]azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitrobenzothiophene-2-carbonyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitro-1-benzothiophene-2-carbonyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-nitrobenzothiophene-2-carbonyl)ammonium Formula: C19H17N2O5S+ MolecularWeight: 385.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C19H16N2O5S/c1-10-6-18(22)26-15-9-12(2-4-14(10)15)20-19(23)17-8-11-7-13(21(24)25)3-5-16(11)27-17/h3,5-8,15,22H,2,4,9H2,1H3/p+1