[3-[(4-bromophenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(4-bromophenyl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[allyl-[(4-bromophenyl)methyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[(4-bromophenyl)methyl-prop-2-enylamino]-3-oxopropyl]ammonium IUPAC Name: [3-[(4-bromophenyl)methyl-prop-2-enylamino]-3-oxopropyl]azanium Traditional Name: [3-[allyl-(4-bromobenzyl)amino]-3-keto-propyl]ammonium Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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