1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C16H28N5O+ MolecularWeight: 306.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC=C(C)C

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC=C(C)C

InChI

InChI=1S/C16H27N5O/c1-12(2)5-8-20-9-6-14(7-10-20)21-11-15(18-19-21)16(22)17-13(3)4/h5,11,13-14H,6-10H2,1-4H3,(H,17,22)/p+1