N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[[(2R)-chroman-2-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[[(2R)-chroman-2-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3CCC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NC[C@H]3CCC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N5O2/c26-20(21-14-17-9-8-16-6-2-3-7-19(16)27-17)18-15-25(23-22-18)13-12-24-10-4-1-5-11-24/h2-3,6-7,15,17H,1,4-5,8-14H2,(H,21,26)/p+1/t17-/m1/s1