methyl-(naphthalen-2-ylmethyl)-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+](C)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+](C)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O3S/c1-20(26(2)19-21-12-13-22-8-6-7-9-23(22)18-21)25(29)27-14-16-28(17-15-27)32(30,31)24-10-4-3-5-11-24/h3-13,18,20H,14-17,19H2,1-2H3/p+1/t20-/m0/s1