[3-[(3-bromophenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3-bromophenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[allyl-[(3-bromophenyl)methyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[(3-bromophenyl)methyl-prop-2-enylamino]-3-oxopropyl]ammonium IUPAC Name: [3-[(3-bromophenyl)methyl-prop-2-enylamino]-3-oxopropyl]azanium Traditional Name: [3-[allyl-(3-bromobenzyl)amino]-3-keto-propyl]ammonium Formula: C13H18BrN2O+ MolecularWeight: 298.19882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC(=CC=C1)Br)C(=O)CC[NH3+]

Isomeric SMILES

C=CCN(CC1=CC(=CC=C1)Br)C(=O)CC[NH3+]

InChI

InChI=1S/C13H17BrN2O/c1-2-8-16(13(17)6-7-15)10-11-4-3-5-12(14)9-11/h2-5,9H,1,6-8,10,15H2/p+1