[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C23H31N3O2/c1-18(23(27)24-20-12-6-8-14-22(20)28-3)25(2)17-19-11-5-7-13-21(19)26-15-9-4-10-16-26/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1