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

Systemtic Name: [3-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[(1S)-1-methylpropyl]-(m-tolylmethyl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[(3-methylbenzyl)-[(1S)-1-methylpropyl]amino]propyl]ammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-4-13(3)17(15(18)8-9-16)11-14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11,16H2,1-3H3/p+1/t13-/m0/s1