1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H27BrN3O4S+ MolecularWeight: 461.39368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C18H26BrN3O4S/c1-26-15-6-5-14(19)13-16(15)27(24,25)22-11-7-18(8-12-22,17(20)23)21-9-3-2-4-10-21/h5-6,13H,2-4,7-12H2,1H3,(H2,20,23)/p+1