[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C25H33BrN3O3+ MolecularWeight: 503.45182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Br)O

InChI

InChI=1S/C25H32BrN3O3/c1-32-23-16-20(15-22(26)24(23)30)18-27-9-7-21(8-10-27)25(31)29-13-11-28(12-14-29)17-19-5-3-2-4-6-19/h2-6,15-16,21,30H,7-14,17-18H2,1H3/p+1