(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-(4-nitrophenyl)piperazine-1-carbothioyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-(4-nitrophenyl)piperazine-1-carbothioyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-(4-nitrophenyl)piperazine-1-carbothioyl]ammonium Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C21H24N4O4S/c1-14-12-20(26)29-19-13-15(2-7-18(14)19)22-21(30)24-10-8-23(9-11-24)16-3-5-17(6-4-16)25(27)28/h3-6,12,19,26H,2,7-11,13H2,1H3/p+1