isoquinoline; N-propan-2-yl-1-sulfonyl-piperidin-1-ium-4-amine

Systemtic Name: isoquinoline; N-propan-2-yl-1-sulfonyl-piperidin-1-ium-4-amine Openeye Name: N-isopropyl-1-sulfonyl-piperidin-1-ium-4-amine; isoquinoline CAS Name: isoquinoline; N-propan-2-yl-1-sulfonyl-4-piperidin-1-iumamine IUPAC Name: isoquinoline; N-propan-2-yl-1-sulfonylpiperidin-1-ium-4-amine Traditional Name: isopropyl-(1-sulfonylpiperidin-1-ium-4-yl)amine; isoquinoline Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CC[N+](=S(=O)=O)CC1.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CC(C)NC1CC[N+](=S(=O)=O)CC1.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N.C8H17N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;1-7(2)9-8-3-5-10(6-4-8)13(11)12/h1-7H;7-9H,3-6H2,1-2H3/q;+1