N-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]benzenesulfonamide Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O2S/c1-19(2)21-10-12-23(13-11-21)28(26,27)24-22-14-17-25(18-15-22)16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19,22,24H,6,9,14-18H2,1-2H3/p+1