azepan-1-yl-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C24H34N5OS+ MolecularWeight: 440.62466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H33N5OS/c30-23(27-14-6-1-2-7-15-27)20-12-16-26(17-13-20)18-28-24(31)29(21-8-4-3-5-9-21)22(25-28)19-10-11-19/h3-5,8-9,19-20H,1-2,6-7,10-18H2/p+1