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

Systemtic Name: [3-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[(4-ethylphenyl)methyl-[(1S)-1-methylpropyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-3-oxopropyl]azanium Traditional Name: [3-[(4-ethylbenzyl)-[(1S)-1-methylpropyl]amino]-3-keto-propyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C(C)CC)C(=O)CC[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)CN([C@@H](C)CC)C(=O)CC[NH3+]

InChI

InChI=1S/C16H26N2O/c1-4-13(3)18(16(19)10-11-17)12-15-8-6-14(5-2)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3/p+1/t13-/m0/s1