1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]piperidin-1-ium

Systemtic Name: 1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]piperidin-1-ium Openeye Name: 1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium CAS Name: 1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)-1-triazolyl]piperidin-1-ium IUPAC Name: 1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium Traditional Name: 1-[(E)-but-2-enyl]-4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC[NH+]1CCC(CC1)N2C=C(N=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

C/C=C/C[NH+]1CCC(CC1)N2C=C(N=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O/c1-3-4-11-21-12-9-16(10-13-21)22-14-18(19-20-22)15-5-7-17(23-2)8-6-15/h3-8,14,16H,9-13H2,1-2H3/p+1/b4-3+