ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H29N3O4S/c1-2-29-22(26)24-11-9-20(10-12-24)23-13-15-25(16-14-23)30(27,28)21-8-7-18-5-3-4-6-19(18)17-21/h3-8,17,20H,2,9-16H2,1H3/p+1