1-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]-N-cyclopentyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C22H29ClN5O+ MolecularWeight: 414.95156

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5O/c23-18(13-17-7-2-1-3-8-17)14-27-12-6-11-20(15-27)28-16-21(25-26-28)22(29)24-19-9-4-5-10-19/h1-3,7-8,13,16,19-20H,4-6,9-12,14-15H2,(H,24,29)/p+1/b18-13-/t20-/m0/s1