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

Systemtic Name: N-(3-oxidanylpropyl)-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)NCCCO

InChI

InChI=1S/C20H29N5O2/c26-14-6-11-21-20(27)19-16-25(23-22-19)18-10-5-13-24(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,16,18,26H,4-6,9-15H2,(H,21,27)/p+1/t18-/m0/s1