[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-(3-butoxypropyl)azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-(3-butoxypropyl)azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-(3-butoxypropyl)ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-(3-butoxypropyl)ammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-(3-butoxypropyl)azanium Traditional Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-(3-butoxypropyl)ammonium Formula: C22H38N3O4S+ MolecularWeight: 440.61982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCOCCC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H37N3O4S/c1-3-4-15-29-16-9-12-23-18-22(26)24-20-11-10-19(2)21(17-20)30(27,28)25-13-7-5-6-8-14-25/h10-11,17,23H,3-9,12-16,18H2,1-2H3,(H,24,26)/p+1