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

Systemtic Name: propyl N-[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H36N5O5S+ MolecularWeight: 542.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C27H35N5O5S/c1-3-19-37-27(34)29-32(38(35,36)25-7-5-22(4-2)6-8-25)18-17-31(26(33)21-32)20-23-11-15-30(16-12-23)24-9-13-28-14-10-24/h4-10,13-14,23H,2-3,11-12,15-21H2,1H3/p+1