3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]propyl-diethyl-ammonium Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H35N3O3S/c1-3-24(4-2)17-9-16-23-22(26)15-12-20-10-13-21(14-11-20)29(27,28)25-18-7-5-6-8-19-25/h10-15H,3-9,16-19H2,1-2H3,(H,23,26)/p+1/b15-12+