[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [(Z)-2-chloro-3-phenyl-allyl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [(Z)-2-chloro-3-phenylprop-2-enyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [(Z)-2-chloro-3-phenylprop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [(Z)-2-chloro-3-phenyl-allyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C18H22ClN4+ MolecularWeight: 329.84708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C18H21ClN4/c19-16(12-15-6-2-1-3-7-15)13-22-17-8-4-11-23(14-17)18-20-9-5-10-21-18/h1-3,5-7,9-10,12,17,22H,4,8,11,13-14H2/p+1/b16-12-/t17-/m0/s1