4-(3,5-dimethylpiperazin-1-yl)naphthalene-1-sulfonic acid

Systemtic Name: 4-(3,5-dimethylpiperazin-1-yl)naphthalene-1-sulfonic acid Openeye Name: 4-(3,5-dimethylpiperazin-1-yl)naphthalene-1-sulfonic acid CAS Name: 4-(3,5-dimethyl-1-piperazinyl)-1-naphthalenesulfonic acid IUPAC Name: 4-(3,5-dimethylpiperazin-1-yl)naphthalene-1-sulfonic acid Traditional Name: 4-(3,5-dimethylpiperazino)naphthalene-1-sulfonic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-11-9-18(10-12(2)17-11)15-7-8-16(22(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17H,9-10H2,1-2H3,(H,19,20,21)