methyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate

Systemtic Name: methyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: methyl N-[3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Traditional Name: N-[3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl]carbamic acid methyl ester Formula: C25H32N5O5S+ MolecularWeight: 514.61708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

COC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C25H31N5O5S/c1-3-20-4-6-23(7-5-20)36(33,34)30(27-25(32)35-2)17-16-29(24(31)19-30)18-21-10-14-28(15-11-21)22-8-12-26-13-9-22/h3-9,12-13,21H,1,10-11,14-19H2,2H3/p+1