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

Systemtic Name: 1-[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(1-methyl-2-pyrrolyl)methyl]-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C17H27N6O+ MolecularWeight: 331.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=CN3C

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CN3C

InChI

InChI=1S/C17H26N6O/c1-13(2)18-17(24)16-12-23(20-19-16)15-7-5-9-22(11-15)10-14-6-4-8-21(14)3/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,18,24)/p+1/t15-/m0/s1