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

Systemtic Name: 4-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]butane-1-sulfonate Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H24N2O4S/c19-16(17-15-6-2-1-3-7-15)14-8-11-18(12-9-14)10-4-5-13-23(20,21)22/h1-3,6-7,14H,4-5,8-13H2,(H,17,19)(H,20,21,22)