N-cyclopropyl-1-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C21H29N5O2/c1-15(13-16-3-7-19(28-2)8-4-16)25-11-9-18(10-12-25)26-14-20(23-24-26)21(27)22-17-5-6-17/h3-4,7-8,14-15,17-18H,5-6,9-13H2,1-2H3,(H,22,27)/p+1/t15-/m0/s1