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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC[NH+]1CCC(CC1)N2C=C(N=N2)C(=O)NC3CC3)C4=CC=CC=C4

InChI

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