1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C17H20BrN3O3S/c1-13-11-15(24-2)16(12-14(13)18)25(22,23)21-9-7-20(8-10-21)17-5-3-4-6-19-17/h3-6,11-12H,7-10H2,1-2H3/p+1