N-(3-phenylpropyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(3-phenylpropyl)-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(3-phenylpropyl)-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-(3-phenylpropyl)-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(3-phenylpropyl)-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 3-phenylpropyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2S/c23-25(24,22-14-5-2-6-15-22)18-11-12-19(21-16-18)20-13-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,11-12,16H,2,5-7,10,13-15H2,(H,20,21)/p+1