N-cyclopropyl-1-[1-[(2R)-4-phenylbutan-2-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(2R)-4-phenylbutan-2-yl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(1R)-1-methyl-3-phenyl-propyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2R)-4-phenylbutan-2-yl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2R)-4-phenylbutan-2-yl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(1R)-1-methyl-3-phenyl-propyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C21H29N5O/c1-16(7-8-17-5-3-2-4-6-17)25-13-11-19(12-14-25)26-15-20(23-24-26)21(27)22-18-9-10-18/h2-6,15-16,18-19H,7-14H2,1H3,(H,22,27)/p+1/t16-/m1/s1