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

Systemtic Name: 2-[4-[(Z)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(Z)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(Z)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]pyrimidine Formula: C18H23N4+ MolecularWeight: 295.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C/C(=C/C1=CC=CC=C1)/C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4/c1-16(14-17-6-3-2-4-7-17)15-21-10-12-22(13-11-21)18-19-8-5-9-20-18/h2-9,14H,10-13,15H2,1H3/p+1/b16-14-