N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(o-tolylmethylsulfonyl)propanamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(2-methylbenzyl)sulfonyl-propionamide Formula: C19H31N2O3S+ MolecularWeight: 367.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCC[NH+]2CCCCCC2

InChI

InChI=1S/C19H30N2O3S/c1-17-8-4-5-9-18(17)16-25(23,24)15-10-19(22)20-11-14-21-12-6-2-3-7-13-21/h4-5,8-9H,2-3,6-7,10-16H2,1H3,(H,20,22)/p+1