N-cyclopentyl-1-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-benzylpiperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-benzylpiperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-benzylpiperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N5O/c26-20(21-17-9-4-5-10-17)19-15-25(23-22-19)18-11-6-12-24(14-18)13-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2,(H,21,26)/p+1/t18-/m0/s1