1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S,5S)-3,5-dimethylpiperidino]-2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C24H37N4O4S+ MolecularWeight: 477.63998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C24H36N4O4S/c1-19-14-20(2)17-27(16-19)23(29)18-25-10-12-26(13-11-25)24(30)21-6-5-7-22(15-21)33(31,32)28-8-3-4-9-28/h5-7,15,19-20H,3-4,8-14,16-18H2,1-2H3/p+1/t19-,20-/m0/s1