1-chloranylisoquinoline; N-hexyl-1-sulfonyl-piperidin-1-ium-3-amine

Systemtic Name: 1-chloranylisoquinoline; N-hexyl-1-sulfonyl-piperidin-1-ium-3-amine Openeye Name: 1-chloroisoquinoline; N-hexyl-1-sulfonyl-piperidin-1-ium-3-amine CAS Name: 1-chloroisoquinoline; N-hexyl-1-sulfonyl-3-piperidin-1-iumamine IUPAC Name: 1-chloroisoquinoline; N-hexyl-1-sulfonylpiperidin-1-ium-3-amine Traditional Name: 1-chloroisoquinoline; hexyl-(1-sulfonylpiperidin-1-ium-3-yl)amine Formula: C20H29ClN3O2S+ MolecularWeight: 410.98116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1CCC[N+](=S(=O)=O)C1.C1=CC=C2C(=C1)C=CN=C2Cl

Isomeric SMILES

CCCCCCNC1CCC[N+](=S(=O)=O)C1.C1=CC=C2C(=C1)C=CN=C2Cl

InChI

InChI=1S/C11H23N2O2S.C9H6ClN/c1-2-3-4-5-8-12-11-7-6-9-13(10-11)16(14)15;10-9-8-4-2-1-3-7(8)5-6-11-9/h11-12H,2-10H2,1H3;1-6H/q+1;