[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-ethoxyphenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(1-p-phenetylsulfonyl-4-piperidyl)methanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H29N3O4S/c1-3-26-17-4-6-18(7-5-17)27(24,25)22-10-8-16(9-11-22)19(23)21-14-12-20(2)13-15-21/h4-7,16H,3,8-15H2,1-2H3/p+1