2-[1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[1-[(E)-3-(3-pyridyl)prop-2-enoyl]-4-piperidyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-4-piperidinyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[1-[(E)-3-(3-pyridyl)acryloyl]-4-piperidyl]triazol-4-yl]ethyl]ammonium Formula: C18H25N6O+ MolecularWeight: 341.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)C=CC3=CN=CC=C3)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)/C=C/C3=CN=CC=C3)[NH3+]

InChI

InChI=1S/C18H24N6O/c1-18(2,19)16-13-24(22-21-16)15-7-10-23(11-8-15)17(25)6-5-14-4-3-9-20-12-14/h3-6,9,12-13,15H,7-8,10-11,19H2,1-2H3/p+1/b6-5+