[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(2S)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S)-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H26N4O3S/c29-24(27-16-14-26(15-17-27)23-9-3-4-12-25-23)22-8-5-13-28(22)32(30,31)21-11-10-19-6-1-2-7-20(19)18-21/h1-4,6-7,9-12,18,22H,5,8,13-17H2/p+1/t22-/m0/s1