methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H27N5O2S/c1-25(15-20-14-24-28(17-20)16-19-6-3-2-4-7-19)18-22(29)26-9-11-27(12-10-26)23(30)21-8-5-13-31-21/h2-8,13-14,17H,9-12,15-16,18H2,1H3/p+1