(3S,5R)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine

Systemtic Name: (3S,5R)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine Openeye Name: (3S,5R)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine CAS Name: (3S,5R)-1-[1-[(2-bromophenyl)methyl]-4-piperidin-1-iumyl]-3,5-dimethylpiperidine IUPAC Name: (3S,5R)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethylpiperidine Traditional Name: (3S,5R)-1-[1-(2-bromobenzyl)piperidin-1-ium-4-yl]-3,5-dimethyl-piperidine Formula: C19H30BrN2+ MolecularWeight: 366.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3Br)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3Br)C

InChI

InChI=1S/C19H29BrN2/c1-15-11-16(2)13-22(12-15)18-7-9-21(10-8-18)14-17-5-3-4-6-19(17)20/h3-6,15-16,18H,7-14H2,1-2H3/p+1/t15-,16+