N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C24H34N4O3S+2 MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c29-24(25-23-11-12-27(18-23)17-21-7-3-1-4-8-21)19-26-13-15-28(16-14-26)32(30,31)20-22-9-5-2-6-10-22/h1-10,23H,11-20H2,(H,25,29)/p+2/t23-/m0/s1