3-(4-methylphenyl)-2-phenyl-5-pyrrolidin-1-ium-1-ylidene-1,2,4-thiadiazole

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-5-pyrrolidin-1-ium-1-ylidene-1,2,4-thiadiazole Openeye Name: 2-phenyl-3-(p-tolyl)-5-pyrrolidin-1-ium-1-ylidene-1,2,4-thiadiazole CAS Name: 3-(4-methylphenyl)-2-phenyl-5-(1-pyrrolidin-1-iumylidene)-1,2,4-thiadiazole IUPAC Name: 3-(4-methylphenyl)-2-phenyl-5-pyrrolidin-1-ium-1-ylidene-1,2,4-thiadiazole Traditional Name: 2-phenyl-3-(p-tolyl)-5-pyrrolidin-1-ium-1-ylidene-1,2,4-thiadiazole Formula: C19H20N3S+ MolecularWeight: 322.4472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCC3)SN2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCC3)SN2C4=CC=CC=C4

InChI

InChI=1S/C19H20N3S/c1-15-9-11-16(12-10-15)18-20-19(21-13-5-6-14-21)23-22(18)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3/q+1