5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-phenylpropyl)pyridin-2-amine

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-phenylpropyl)pyridin-2-amine Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-phenylpropyl)pyridin-2-amine CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(3-phenylpropyl)-2-pyridinamine IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-phenylpropyl)pyridin-2-amine Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-(3-phenylpropyl)amine Formula: C19H27N4O2S+ MolecularWeight: 375.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2S/c1-22-12-14-23(15-13-22)26(24,25)18-9-10-19(21-16-18)20-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,20,21)/p+1