[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-piperidin-4-ylidene-pyridin-4-yl-azanium

Systemtic Name: [4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-piperidin-4-ylidene-pyridin-4-yl-azanium Openeye Name: [2-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-1-yl]-(4-piperidylidene)-(4-pyridyl)ammonium CAS Name: [4-(4-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]-(4-piperidinylidene)-pyridin-4-ylammonium IUPAC Name: [4-(4-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]-piperidin-4-ylidene-pyridin-4-ylazanium Traditional Name: [2-keto-4-(4-vinylphenyl)sulfonyl-piperazino]-(4-piperidylidene)-(4-pyridyl)ammonium Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)[N+](=C3CCNCC3)C4=CC=NC=C4

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)[N+](=C3CCNCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H26N5O3S/c1-2-18-3-5-21(6-4-18)31(29,30)25-15-16-26(22(28)17-25)27(19-7-11-23-12-8-19)20-9-13-24-14-10-20/h2-8,11-12,24H,1,9-10,13-17H2/q+1