1-[(4-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)diazane

Systemtic Name: 1-[(4-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)diazane Openeye Name: 1-[(4-phenyl-2-piperidin-1-ium-1-ylidene-thiazol-5-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine CAS Name: 1-[[4-phenyl-2-(1-piperidin-1-iumylidene)-5-thiazolylidene]methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine IUPAC Name: 1-[(4-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine Traditional Name: 1-[(4-phenyl-2-piperidin-1-ium-1-ylidene-3-thiazolin-5-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NNC=C2C(=NC(=[N+]3CCCCC3)S2)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)NNC=C2C(=NC(=[N+]3CCCCC3)S2)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5S/c1-4-10-17(11-5-1)20-18(16-23-25-19-12-6-2-7-13-22-19)27-21(24-20)26-14-8-3-9-15-26/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,22,25)/p+1