(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methylpiperazin-4-ium-1-yl)carbothioyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methylpiperazin-4-ium-1-yl)carbothioyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methylpiperazin-4-ium-1-carbothioyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methylpiperazin-4-ium-1-carbothioyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methylpiperazin-4-ium-1-carbothioyl)ammonium Formula: C16H25N3O2S+2 MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)C)CC2OC(=C1)O

InChI

InChI=1S/C16H23N3O2S/c1-11-9-15(20)21-14-10-12(3-4-13(11)14)17-16(22)19-7-5-18(2)6-8-19/h9,14,20H,3-8,10H2,1-2H3/p+2