2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]ethanesulfonate Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C16H19NO3S/c18-21(19,20)14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14H2