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

Systemtic Name: (4-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-p-anisyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-4-5-6-11-17-16(19)13(2)18-12-14-7-9-15(20-3)10-8-14/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,17,19)/p+1/t13-/m0/s1