[6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [6-methyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[[6-methyl-1-(o-tolylmethyl)-2-oxo-3-quinolyl]methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[[6-methyl-1-[(2-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[[2-keto-6-methyl-1-(2-methylbenzyl)-3-quinolyl]methyl]ammonium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CC(C)O)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]C[C@H](C)O)CC3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O2/c1-15-8-9-21-19(10-15)11-20(13-23-12-17(3)25)22(26)24(21)14-18-7-5-4-6-16(18)2/h4-11,17,23,25H,12-14H2,1-3H3/p+1/t17-/m0/s1