[3-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[(4-bromophenyl)methyl-[(1S)-1-methylpropyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-[(4-bromobenzyl)-[(1S)-1-methylpropyl]amino]-3-keto-propyl]ammonium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)Br)C(=O)CC[NH3+]

InChI

InChI=1S/C14H21BrN2O/c1-3-11(2)17(14(18)8-9-16)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10,16H2,1-2H3/p+1/t11-/m0/s1