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

Systemtic Name: 4-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-(3-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=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

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