(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C18H27N3O3S/c1-4-10-19-18(22)16(3)20-11-5-12-21(14-13-20)25(23,24)17-8-6-15(2)7-9-17/h4,6-9,16H,1,5,10-14H2,2-3H3,(H,19,22)/p+1/t16-/m0/s1