5-azanyl-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-pyrrol-3-one Openeye Name: 5-amino-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-pyrrol-3-one CAS Name: 5-amino-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-pyrrol-3-one IUPAC Name: 5-amino-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2H-pyrrol-3-one Traditional Name: 5-amino-1-(4-ethylphenyl)-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-pyrrolin-3-one Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=[N+](C4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=[N+](C4=CC=CC=C4S3)C

InChI

InChI=1S/C20H19N3OS/c1-3-13-8-10-14(11-9-13)23-12-16(24)18(19(23)21)20-22(2)15-6-4-5-7-17(15)25-20/h4-11,21H,3,12H2,1-2H3/p+1