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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(4-ethylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(4-ethylbenzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C22H31N5O/c1-2-17-9-11-18(12-10-17)14-26-13-5-8-20(15-26)27-16-21(24-25-27)22(28)23-19-6-3-4-7-19/h9-12,16,19-20H,2-8,13-15H2,1H3,(H,23,28)/p+1/t20-/m0/s1