1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C22H37N4O5S+ MolecularWeight: 469.61798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C22H36N4O5S/c1-18-14-20(30-2)21(31-3)15-19(18)16-24-8-11-25(12-9-24)22(27)17-23-6-5-7-26(13-10-23)32(4,28)29/h14-15H,5-13,16-17H2,1-4H3/p+1