N-propan-2-yl-4-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N-propan-2-yl-4-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: 4-(4-allylpiperazin-4-ium-1-yl)-N-isopropyl-pyridin-1-ium-3-sulfonamide CAS Name: N-propan-2-yl-4-(4-prop-2-enyl-1-piperazin-4-iumyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N-propan-2-yl-4-(4-prop-2-enylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: 4-(4-allylpiperazin-4-ium-1-yl)-N-isopropyl-pyridin-1-ium-3-sulfonamide Formula: C15H26N4O2S+2 MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC=C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=C[NH+]=C1)N2CC[NH+](CC2)CC=C

InChI

InChI=1S/C15H24N4O2S/c1-4-7-18-8-10-19(11-9-18)14-5-6-16-12-15(14)22(20,21)17-13(2)3/h4-6,12-13,17H,1,7-11H2,2-3H3/p+2