1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[(3S)-1-piperonylpiperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N5O3/c1-13(2)20-19(25)16-11-24(22-21-16)15-4-3-7-23(10-15)9-14-5-6-17-18(8-14)27-12-26-17/h5-6,8,11,13,15H,3-4,7,9-10,12H2,1-2H3,(H,20,25)/p+1/t15-/m0/s1