8-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-3-methyl-quinoline

Systemtic Name: 8-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-3-methyl-quinoline Openeye Name: 8-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-3-methyl-quinoline CAS Name: 8-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-3-methylquinoline Traditional Name: 3-methyl-8-[(4-p-anisyl-1,4-diazepan-4-ium-1-yl)sulfonyl]quinoline Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O3S/c1-18-15-20-5-3-6-22(23(20)24-16-18)30(27,28)26-12-4-11-25(13-14-26)17-19-7-9-21(29-2)10-8-19/h3,5-10,15-16H,4,11-14,17H2,1-2H3/p+1