N,N-diethyl-1-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=C(S3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(S3)C

InChI

InChI=1S/C18H27N5OS/c1-4-22(5-2)18(24)17-13-23(20-19-17)15-7-6-10-21(11-15)12-16-9-8-14(3)25-16/h8-9,13,15H,4-7,10-12H2,1-3H3/p+1/t15-/m0/s1