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

Systemtic Name: 1-[(3S)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[(3S)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: 1-[(3S)-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[(3S)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C24H37N6O+ MolecularWeight: 425.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H36N6O/c1-19(2)25-24(31)23-18-30(27-26-23)22-9-6-13-29(17-22)21-11-15-28(16-12-21)14-10-20-7-4-3-5-8-20/h3-5,7-8,18-19,21-22H,6,9-17H2,1-2H3,(H,25,31)/p+1/t22-/m0/s1