ethyl N-[4-[[1-(4-ethenylphenyl)sulfonyl-4-oxidanylidene-piperazine-1,4-diium-1-yl]methyl]piperidin-4-yl]carbamate hydrochloride

Systemtic Name: ethyl N-[4-[[1-(4-ethenylphenyl)sulfonyl-4-oxidanylidene-piperazine-1,4-diium-1-yl]methyl]piperidin-4-yl]carbamate hydrochloride Openeye Name: ethyl N-[4-[[4-oxo-1-(4-vinylphenyl)sulfonyl-piperazine-1,4-diium-1-yl]methyl]-4-piperidyl]carbamate hydrochloride CAS Name: N-[4-[[1-(4-ethenylphenyl)sulfonyl-4-oxo-1-piperazine-1,4-diiumyl]methyl]-4-piperidinyl]carbamic acid ethyl ester hydrochloride IUPAC Name: ethyl N-[4-[[1-(4-ethenylphenyl)sulfonyl-4-oxopiperazine-1,4-diium-1-yl]methyl]piperidin-4-yl]carbamate hydrochloride Traditional Name: N-[4-[[4-keto-1-(4-vinylphenyl)sulfonyl-piperazine-1,4-diium-1-yl]methyl]-4-piperidyl]carbamic acid ethyl ester hydrochloride Formula: C21H33ClN4O5S+2 MolecularWeight: 489.02852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCNCC1)C[N+]2(CC[N+](=O)CC2)S(=O)(=O)C3=CC=C(C=C3)C=C.Cl

Isomeric SMILES

CCOC(=O)NC1(CCNCC1)C[N+]2(CC[N+](=O)CC2)S(=O)(=O)C3=CC=C(C=C3)C=C.Cl

InChI

InChI=1S/C21H31N4O5S.ClH/c1-3-18-5-7-19(8-6-18)31(28,29)25(15-13-24(27)14-16-25)17-21(9-11-22-12-10-21)23-20(26)30-4-2;/h3,5-8,22H,1,4,9-17H2,2H3;1H/q+1;/p+1