(2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Openeye Name: (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one CAS Name: (2R)-2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-2H-quinolin-1-yl)-1-propanone IUPAC Name: (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Traditional Name: (2R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H34N4O3S/c1-19(22(27)26-14-8-10-20-9-4-5-11-21(20)26)23-15-17-25(18-16-23)30(28,29)24-12-6-2-3-7-13-24/h4-5,9,11,19H,2-3,6-8,10,12-18H2,1H3/p+1/t19-/m1/s1