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

Systemtic Name: [3-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[(4-dimethylaminophenyl)methyl-[(1S)-1-methylpropyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-3-oxopropyl]azanium Traditional Name: [3-[[4-(dimethylamino)benzyl]-[(1S)-1-methylpropyl]amino]-3-keto-propyl]ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-5-13(2)19(16(20)10-11-17)12-14-6-8-15(9-7-14)18(3)4/h6-9,13H,5,10-12,17H2,1-4H3/p+1/t13-/m0/s1