1-cyclohexyl-N-[[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-[[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methyl]-1-cyclohexyl-triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-[[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methyl]-1-cyclohexyltriazole-4-carboxamide Traditional Name: N-[[(3R)-1-benzylpiperidin-1-ium-3-yl]methyl]-1-cyclohexyl-triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)NC[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-22(21-17-27(25-24-21)20-11-5-2-6-12-20)23-14-19-10-7-13-26(16-19)15-18-8-3-1-4-9-18/h1,3-4,8-9,17,19-20H,2,5-7,10-16H2,(H,23,28)/p+1/t19-/m1/s1