8-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine

Systemtic Name: 8-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine Openeye Name: 8-methyl-N-[4-(1-piperidylsulfonyl)phenyl]quinolin-1-ium-4-amine CAS Name: 8-methyl-N-[4-(1-piperidinylsulfonyl)phenyl]-4-quinolin-1-iumamine IUPAC Name: 8-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinolin-1-ium-4-amine Traditional Name: (8-methylquinolin-1-ium-4-yl)-(4-piperidinosulfonylphenyl)amine Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-16-6-5-7-19-20(12-13-22-21(16)19)23-17-8-10-18(11-9-17)27(25,26)24-14-3-2-4-15-24/h5-13H,2-4,14-15H2,1H3,(H,22,23)/p+1