1-[(Z)-2-methyl-3-phenyl-prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(Z)-2-methyl-3-phenyl-prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(Z)-2-methyl-3-phenyl-allyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(Z)-2-methyl-3-phenyl-allyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H25N3+2 MolecularWeight: 295.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C/C(=C/C1=CC=CC=C1)/C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N3/c1-17(15-18-7-3-2-4-8-18)16-21-11-13-22(14-12-21)19-9-5-6-10-20-19/h2-10,15H,11-14,16H2,1H3/p+2/b17-15-