3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-6-propyl-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-6-propyl-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propyl-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-6-propyl-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-6-propyl-chromen-7-olate Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C[NH+]5CCN(CC5)C)[O-]

InChI

InChI=1S/C26H29N3O3S/c1-4-7-17-14-18-24(31)22(26-27-20-8-5-6-9-21(20)33-26)16(2)32-25(18)19(23(17)30)15-29-12-10-28(3)11-13-29/h5-6,8-9,14,30H,4,7,10-13,15H2,1-3H3