2-[[(E)-3-(3-azanyl-4-methyl-phenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(E)-3-(3-azanyl-4-methyl-phenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(E)-3-(3-amino-4-methyl-phenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(E)-3-(3-amino-4-methylphenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(E)-3-(3-amino-4-methylphenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(E)-3-(3-amino-4-methyl-phenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NCC[NH+](C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NCC[NH+](C)C)N

InChI

InChI=1S/C14H21N3O/c1-11-4-5-12(10-13(11)15)6-7-14(18)16-8-9-17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)/p+1/b7-6+