N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide CAS Name: N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)triazole-4-carboxamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN(CCCC[NH+]1CCOCC1)C(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-24(11-5-6-12-25-14-16-28-17-15-25)21(27)20-18-26(23-22-20)13-7-10-19-8-3-2-4-9-19/h2-4,7-10,18H,5-6,11-17H2,1H3/p+1/b10-7+