(4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium

Systemtic Name: (4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]ammonium IUPAC Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)[NH2+]CC1=CC=C(C=C1)C

Isomeric SMILES

CCCCCNC(=O)[C@H](C)[NH2+]CC1=CC=C(C=C1)C

InChI

InChI=1S/C16H26N2O/c1-4-5-6-11-17-16(19)14(3)18-12-15-9-7-13(2)8-10-15/h7-10,14,18H,4-6,11-12H2,1-3H3,(H,17,19)/p+1/t14-/m0/s1