(3S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-N-phenyl-nipecotamide Formula: C22H30N5O3S+ MolecularWeight: 444.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O3S/c1-25-12-14-27(15-13-25)31(29,30)20-9-10-21(23-16-20)26-11-5-6-18(17-26)22(28)24-19-7-3-2-4-8-19/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3,(H,24,28)/p+1/t18-/m0/s1