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

Systemtic Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-N-cyclopentyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C20H27ClN5O+ MolecularWeight: 388.91428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN5O/c21-16-9-7-15(8-10-16)12-25-11-3-6-18(13-25)26-14-19(23-24-26)20(27)22-17-4-1-2-5-17/h7-10,14,17-18H,1-6,11-13H2,(H,22,27)/p+1/t18-/m0/s1