4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C21H30N4O3S+2 MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-18-4-2-3-5-19(18)17-23-8-10-24(11-9-23)21-7-6-20(16-22-21)29(26,27)25-12-14-28-15-13-25/h2-7,16H,8-15,17H2,1H3/p+2