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

Systemtic Name: 1-[1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-N-cyclopropyl-4-triazolecarboxamide IUPAC Name: 1-[1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-cyclopropyltriazole-4-carboxamide Traditional Name: 1-[1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide Formula: C20H25ClN5O+ MolecularWeight: 386.8984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC(=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)C/C(=C/C4=CC=CC=C4)/Cl

InChI

InChI=1S/C20H24ClN5O/c21-16(12-15-4-2-1-3-5-15)13-25-10-8-18(9-11-25)26-14-19(23-24-26)20(27)22-17-6-7-17/h1-5,12,14,17-18H,6-11,13H2,(H,22,27)/p+1/b16-12-