3-(4-methyl-3H-1,3-thiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione

Systemtic Name: 3-(4-methyl-3H-1,3-thiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Openeye Name: 3-(4-methyl-3H-thiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione CAS Name: 3-(4-methyl-3H-thiazol-2-ylidene)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2,7-dione IUPAC Name: 3-(4-methyl-3H-1,3-thiazol-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-dione Traditional Name: 3-(4-methyl-4-thiazolin-2-ylidene)-8-(pyrrolidin-1-ium-1-ylmethyl)chromene-2,7-quinone Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C2C=C3C=CC(=O)C(=C3OC2=O)C[NH+]4CCCC4)N1

Isomeric SMILES

CC1=CSC(=C2C=C3C=CC(=O)C(=C3OC2=O)C[NH+]4CCCC4)N1

InChI

InChI=1S/C18H18N2O3S/c1-11-10-24-17(19-11)13-8-12-4-5-15(21)14(16(12)23-18(13)22)9-20-6-2-3-7-20/h4-5,8,10,19H,2-3,6-7,9H2,1H3/p+1