N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C19H27BrN4O3S+2 MolecularWeight: 471.41168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O3S/c1-22-8-10-24(11-9-22)28(25,26)17-5-7-19(21-13-17)23(2)14-15-12-16(20)4-6-18(15)27-3/h4-7,12-13H,8-11,14H2,1-3H3/p+2