ethyl N-[1-(4-ethenylphenyl)sulfonyl-4-methyl-3-oxidanylidene-2-piperidin-4-yl-piperazin-1-ium-1-yl]carbamate hydrochloride

Systemtic Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-4-methyl-3-oxidanylidene-2-piperidin-4-yl-piperazin-1-ium-1-yl]carbamate hydrochloride Openeye Name: ethyl N-[4-methyl-3-oxo-2-(4-piperidyl)-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamate hydrochloride CAS Name: N-[1-(4-ethenylphenyl)sulfonyl-4-methyl-3-oxo-2-(4-piperidinyl)-1-piperazin-1-iumyl]carbamic acid ethyl ester hydrochloride IUPAC Name: ethyl N-[1-(4-ethenylphenyl)sulfonyl-4-methyl-3-oxo-2-piperidin-4-ylpiperazin-1-ium-1-yl]carbamate hydrochloride Traditional Name: N-[3-keto-4-methyl-2-(4-piperidyl)-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamic acid ethyl ester hydrochloride Formula: C21H32ClN4O5S+ MolecularWeight: 488.02058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1C2CCNCC2)C)S(=O)(=O)C3=CC=C(C=C3)C=C.Cl

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1C2CCNCC2)C)S(=O)(=O)C3=CC=C(C=C3)C=C.Cl

InChI

InChI=1S/C21H30N4O5S.ClH/c1-4-16-6-8-18(9-7-16)31(28,29)25(23-21(27)30-5-2)15-14-24(3)20(26)19(25)17-10-12-22-13-11-17;/h4,6-9,17,19,22H,1,5,10-15H2,2-3H3;1H/p+1