8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline

Systemtic Name: 8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline Openeye Name: 8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline CAS Name: 8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline IUPAC Name: 8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline Traditional Name: 8-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-28(27,21-11-4-9-20-10-5-13-23-22(20)21)25-15-6-14-24(17-18-25)16-12-19-7-2-1-3-8-19/h1-5,7-11,13H,6,12,14-18H2/p+1