4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-(4-benzylpiperidin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-(4-benzylpiperidin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(4-benzylpiperidin-1-ium-1-yl)butane-1-sulfonate Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H25NO3S/c18-21(19,20)13-5-4-10-17-11-8-16(9-12-17)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,18,19,20)