ethyl 4-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-(4-benzylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-(4-benzylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O4S/c1-2-26-19(23)21-10-8-18(9-11-21)20-12-14-22(15-13-20)27(24,25)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3/p+1