4-bromanyl-2-[(S)-(4-methylphenyl)-piperidin-1-ium-1-yl-methyl]phenol

Systemtic Name: 4-bromanyl-2-[(S)-(4-methylphenyl)-piperidin-1-ium-1-yl-methyl]phenol Openeye Name: 4-bromo-2-[(S)-piperidin-1-ium-1-yl(p-tolyl)methyl]phenol CAS Name: 4-bromo-2-[(S)-(4-methylphenyl)-(1-piperidin-1-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(S)-(4-methylphenyl)-piperidin-1-ium-1-ylmethyl]phenol Traditional Name: 4-bromo-2-[(S)-piperidin-1-ium-1-yl(p-tolyl)methyl]phenol Formula: C19H23BrNO+ MolecularWeight: 361.29602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)O)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=C(C=CC(=C2)Br)O)[NH+]3CCCCC3

InChI

InChI=1S/C19H22BrNO/c1-14-5-7-15(8-6-14)19(21-11-3-2-4-12-21)17-13-16(20)9-10-18(17)22/h5-10,13,19,22H,2-4,11-12H2,1H3/p+1/t19-/m0/s1