[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]azanium

Systemtic Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]azanium Openeye Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl-[(E)-2-methyl-3-phenyl-allyl]ammonium CAS Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl-[(E)-2-methyl-3-phenylprop-2-enyl]ammonium IUPAC Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl-[(E)-2-methyl-3-phenylprop-2-enyl]azanium Traditional Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl-[(E)-2-methyl-3-phenyl-allyl]ammonium Formula: C22H32N4+2 MolecularWeight: 352.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH2+]CC2=C(N=CC=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH2+]CC2=C(N=CC=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C22H30N4/c1-19(16-20-8-4-3-5-9-20)17-23-18-21-10-6-11-24-22(21)26-13-7-12-25(2)14-15-26/h3-6,8-11,16,23H,7,12-15,17-18H2,1-2H3/p+2/b19-16+