8-[(4-bromophenyl)methoxy]-2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 8-[(4-bromophenyl)methoxy]-2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 8-[(4-bromophenyl)methoxy]-2-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 8-[(4-bromophenyl)methoxy]-2-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 8-[(4-bromophenyl)methoxy]-2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 8-(4-bromobenzyl)oxy-2-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C22H24BrN2O+ MolecularWeight: 412.34276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)Br)C=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)Br)C=C2

InChI

InChI=1S/C22H23BrN2O/c1-16-4-3-13-25(14-16)21-12-9-18-5-2-6-20(22(18)24-21)26-15-17-7-10-19(23)11-8-17/h2,5-12,16H,3-4,13-15H2,1H3/p+1/t16-/m0/s1