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

Systemtic Name: ethyl N-[1-(4-bromophenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: ethyl N-[1-(4-bromophenyl)sulfonyl-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-(4-bromophenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(4-bromophenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Traditional Name: N-[1-brosyl-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamic acid ethyl ester Formula: C24H31BrN5O5S+ MolecularWeight: 581.50244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN5O5S/c1-2-35-24(32)27-30(36(33,34)22-5-3-20(25)4-6-22)16-15-29(23(31)18-30)17-19-9-13-28(14-10-19)21-7-11-26-12-8-21/h3-8,11-12,19H,2,9-10,13-18H2,1H3/p+1