1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[(1S)-1-(4-mesylphenyl)ethyl]-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H26N4O3S/c1-15(17-5-7-18(8-6-17)28(2,26)27)23-20(25)22-14-16-9-10-21-19(13-16)24-11-3-4-12-24/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H2,22,23,25)/p+1/t15-/m0/s1