7-methyl-6-propan-2-yl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CS4)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-14(2)17-12-18-16(11-20(25)26-19(18)10-15(17)3)13-23-5-7-24(8-6-23)21-22-4-9-27-21/h4,9-12,14H,5-8,13H2,1-3H3/p+1