N-propan-2-yl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-propan-2-yl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-propan-2-yl-1-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-propan-2-yl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-isopropyl-1-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CSC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CSC=C3

InChI

InChI=1S/C16H23N5OS/c1-12(2)17-16(22)15-10-21(19-18-15)14-4-3-6-20(9-14)8-13-5-7-23-11-13/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3,(H,17,22)/p+1/t14-/m0/s1