[(3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H30BrN3O2+2 MolecularWeight: 412.3644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrN3O2/c1-21-8-10-23(11-9-21)19(24)15-4-3-7-22(13-15)14-16-12-17(20)5-6-18(16)25-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3/p+2/t15-/m0/s1