4-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[(E)-2-methyl-3-phenyl-allyl]-1,4-diazepan-1-ium-5-one Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O/c1-14(12-15-6-4-3-5-7-15)13-18-9-8-16(19)17(2)10-11-18/h3-7,12H,8-11,13H2,1-2H3/p+1/b14-12+