1-(2-methyl-3-phenyl-prop-2-enyl)-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(2-methyl-3-phenyl-prop-2-enyl)-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-(2-methyl-3-phenyl-allyl)piperazine-1,4-diium CAS Name: 1-(2-methyl-3-phenylprop-2-enyl)-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-(2-methyl-3-phenylprop-2-enyl)piperazine-1,4-diium Traditional Name: 1-benzyl-4-(2-methyl-3-phenyl-allyl)piperazine-1,4-diium Formula: C21H28N2+2 MolecularWeight: 308.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=CC1=CC=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2/c1-19(16-20-8-4-2-5-9-20)17-22-12-14-23(15-13-22)18-21-10-6-3-7-11-21/h2-11,16H,12-15,17-18H2,1H3/p+2