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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: 1-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c28-22(23-19-11-4-5-12-19)21-17-27(25-24-21)20-13-7-15-26(16-20)14-6-10-18-8-2-1-3-9-18/h1-3,6,8-10,17,19-20H,4-5,7,11-16H2,(H,23,28)/p+1/b10-6+/t20-/m0/s1