[(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-[(3-bromophenyl)methyl]-3-piperidin-1-iumyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(3-bromobenzyl)piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H28BrN3O+2 MolecularWeight: 382.33842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H26BrN3O/c1-20-8-10-22(11-9-20)18(23)16-5-3-7-21(14-16)13-15-4-2-6-17(19)12-15/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/p+2/t16-/m0/s1