2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-(4-p-phenetylsulfonylpiperazino)quinolin-1-ium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3O3S/c1-2-27-18-8-10-19(11-9-18)28(25,26)24-15-13-23(14-16-24)21-12-7-17-5-3-4-6-20(17)22-21/h3-12H,2,13-16H2,1H3/p+1