1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(S)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(S)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)S(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)[S@](=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C18H23N3O3S/c1-14-15(23-2)7-8-16(18(14)24-3)25(22)21-12-10-20(11-13-21)17-6-4-5-9-19-17/h4-9H,10-13H2,1-3H3/p+1/t25-/m0/s1