(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H31N5O3S+2 MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29N5O3S/c1-18(25-14-16-26(17-15-25)21-6-2-3-11-23-21)22(28)24-19-7-9-20(10-8-19)31(29,30)27-12-4-5-13-27/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,24,28)/p+2/t18-/m1/s1