1-methyl-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepane-1,4-diium Formula: C16H26N2+2 MolecularWeight: 246.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C16H24N2/c1-15(13-16-7-4-3-5-8-16)14-18-10-6-9-17(2)11-12-18/h3-5,7-8,13H,6,9-12,14H2,1-2H3/p+2/b15-13+