2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazolin-3-ium-4-yl]amino]ethanol

Systemtic Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazolin-3-ium-4-yl]amino]ethanol Openeye Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazolin-3-ium-4-yl]amino]ethanol CAS Name: 2-[[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-4-quinazolin-3-iumyl]amino]ethanol IUPAC Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazolin-3-ium-4-yl]amino]ethanol Traditional Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazino]quinazolin-3-ium-4-yl]amino]ethanol Formula: C21H26N5O4S+ MolecularWeight: 444.52724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)NCCO

InChI

InChI=1S/C21H25N5O4S/c1-30-16-6-8-17(9-7-16)31(28,29)26-13-11-25(12-14-26)21-23-19-5-3-2-4-18(19)20(24-21)22-10-15-27/h2-9,27H,10-15H2,1H3,(H,22,23,24)/p+1