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

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-1-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-N-methyl-1-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-methyl-1-[(3S)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-methyl-1-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-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)C2CCC[NH+](C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(CCO)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O2/c1-25(12-13-28)22(29)21-16-27(24-23-21)19-9-5-11-26(15-19)14-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,28H,5,9,11-15H2,1H3/p+1/t19-/m0/s1