isoquinoline; N-methyl-1-sulfonyl-pyrrolidin-1-ium-3-amine

Systemtic Name: isoquinoline; N-methyl-1-sulfonyl-pyrrolidin-1-ium-3-amine Openeye Name: isoquinoline; N-methyl-1-sulfonyl-pyrrolidin-1-ium-3-amine CAS Name: isoquinoline; N-methyl-1-sulfonyl-3-pyrrolidin-1-iumamine IUPAC Name: isoquinoline; N-methyl-1-sulfonylpyrrolidin-1-ium-3-amine Traditional Name: isoquinoline; methyl-(1-sulfonylpyrrolidin-1-ium-3-yl)amine Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CC[N+](=S(=O)=O)C1.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CNC1CC[N+](=S(=O)=O)C1.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N.C5H11N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;1-6-5-2-3-7(4-5)10(8)9/h1-7H;5-6H,2-4H2,1H3/q;+1