N-ethyl-1-sulfonyl-piperidin-1-ium-3-amine; isoquinoline

Systemtic Name: N-ethyl-1-sulfonyl-piperidin-1-ium-3-amine; isoquinoline Openeye Name: N-ethyl-1-sulfonyl-piperidin-1-ium-3-amine; isoquinoline CAS Name: N-ethyl-1-sulfonyl-3-piperidin-1-iumamine; isoquinoline IUPAC Name: N-ethyl-1-sulfonylpiperidin-1-ium-3-amine; isoquinoline Traditional Name: ethyl-(1-sulfonylpiperidin-1-ium-3-yl)amine; isoquinoline Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CCC[N+](=S(=O)=O)C1.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCNC1CCC[N+](=S(=O)=O)C1.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N.C7H15N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-7-4-3-5-9(6-7)12(10)11/h1-7H;7-8H,2-6H2,1H3/q;+1