N-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(1-naphthyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(1-naphthalenyl)-3-[4-(1-pyrrolidinylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-naphthalen-1-yl-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(1-naphthyl)-3-(4-pyrrolidinosulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H28N4O3S/c26-21(22-20-9-5-7-18-6-1-2-8-19(18)20)10-13-23-14-16-25(17-15-23)29(27,28)24-11-3-4-12-24/h1-2,5-9H,3-4,10-17H2,(H,22,26)/p+1