N,N-diethyl-1-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-triazole-4-carboxamide CAS Name: N,N-diethyl-1-[1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-triazole-4-carboxamide Formula: C24H38N6O+2 MolecularWeight: 426.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H36N6O/c1-3-28(4-2)24(31)23-19-30(26-25-23)22-12-16-29(17-13-22)21-10-14-27(15-11-21)18-20-8-6-5-7-9-20/h5-9,19,21-22H,3-4,10-18H2,1-2H3/p+2