1-(3,4-diethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-25-17-9-8-16(15-18(17)26-4-2)27(23,24)22-13-11-21(12-14-22)19-7-5-6-10-20-19/h5-10,15H,3-4,11-14H2,1-2H3/p+1