(2S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H32N4O3S/c1-3-23-12-6-7-18(23)15-21-16(2)20(25)22-17-8-10-19(11-9-17)28(26,27)24-13-4-5-14-24/h8-11,16,18,21H,3-7,12-15H2,1-2H3,(H,22,25)/p+1/t16-,18-/m0/s1