1-cyclohexyl-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-cyclohexyl-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-[2-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]ethyl]-4-triazolecarboxamide IUPAC Name: 1-cyclohexyl-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]triazole-4-carboxamide Traditional Name: 1-cyclohexyl-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]triazole-4-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC[NH+]3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC[NH+]3CC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5O/c27-21(20-16-26(24-23-20)19-9-5-2-6-10-19)22-12-14-25-13-11-18(15-25)17-7-3-1-4-8-17/h1,3-4,7-8,16,18-19H,2,5-6,9-15H2,(H,22,27)/p+1/t18-/m0/s1