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

Systemtic Name: (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3S,5S)-1-[1-[(2-bromophenyl)methyl]-4-piperidin-1-iumyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3S,5S)-1-[1-(2-bromobenzyl)piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium Formula: C19H31BrN2+2 MolecularWeight: 367.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](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+2/t15-,16-/m0/s1