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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3C=C2)N4C=C(N=N4)C(=O)NCCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3C=C2)N4C=C(N=N4)C(=O)NCCCO

InChI

InChI=1S/C22H27N5O2/c28-12-4-10-23-22(29)21-16-27(25-24-21)20-7-3-11-26(15-20)14-17-8-9-18-5-1-2-6-19(18)13-17/h1-2,5-6,8-9,13,16,20,28H,3-4,7,10-12,14-15H2,(H,23,29)/p+1/t20-/m0/s1