4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-(2,3-dimethylphenyl)piperazino]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H28N4O3S/c1-17-4-3-5-20(18(17)2)23-8-10-24(11-9-23)21-7-6-19(16-22-21)29(26,27)25-12-14-28-15-13-25/h3-7,16H,8-15H2,1-2H3/p+1