N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(2-naphthalenylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-methyl-1-[1-(2-naphthylmethyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H27N5O2/c1-25(12-13-28)22(29)21-16-27(24-23-21)20-8-10-26(11-9-20)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,14,16,20,28H,8-13,15H2,1H3/p+1