[4-(3-azanyl-3-oxidanylidene-propyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [4-(3-azanyl-3-oxidanylidene-propyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [4-(3-amino-3-oxo-propyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [4-(3-amino-3-oxopropyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [4-(3-amino-3-oxopropyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [4-(3-amino-3-keto-propyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C23H31N6OS2+ MolecularWeight: 471.66184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CCC(=O)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CCC(=O)N

InChI

InChI=1S/C23H30N6OS2/c1-26(16-18-7-9-19(10-8-18)27-12-3-2-4-13-27)17-29-23(31)28(14-11-21(24)30)22(25-29)20-6-5-15-32-20/h5-10,15H,2-4,11-14,16-17H2,1H3,(H2,24,30)/p+1