2-[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinolin-1-ium

Systemtic Name: 2-[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinolin-1-ium Openeye Name: 2-[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methyl-quinolin-1-ium CAS Name: 2-[4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-4-methylquinolin-1-ium IUPAC Name: 2-[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-4-methylquinolin-1-ium Traditional Name: 2-[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazino]-4-methyl-quinolin-1-ium Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=CN(N=C4C)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)S(=O)(=O)C4=CN(N=C4C)C

InChI

InChI=1S/C19H23N5O2S/c1-14-12-19(20-17-7-5-4-6-16(14)17)23-8-10-24(11-9-23)27(25,26)18-13-22(3)21-15(18)2/h4-7,12-13H,8-11H2,1-3H3/p+1