[(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(3S)-1-[(3-bromophenyl)methyl]-3-piperidin-1-iumyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(3S)-1-(3-bromobenzyl)piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H26BrN2O+ MolecularWeight: 414.35864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25BrN2O/c23-21-9-3-5-17(13-21)14-24-11-4-8-20(15-24)22(26)25-12-10-18-6-1-2-7-19(18)16-25/h1-3,5-7,9,13,20H,4,8,10-12,14-16H2/p+1/t20-/m0/s1