N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-4-propoxy-benzenesulfonamide

Systemtic Name: N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-4-propoxy-benzenesulfonamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-propoxy-benzenesulfonamide CAS Name: N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]-4-propoxybenzenesulfonamide IUPAC Name: N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]-4-propoxybenzenesulfonamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-propoxy-benzenesulfonamide Formula: C18H31N2O3S+ MolecularWeight: 355.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C18H30N2O3S/c1-4-13-23-17-5-7-18(8-6-17)24(21,22)19-14-16-9-11-20(12-10-16)15(2)3/h5-8,15-16,19H,4,9-14H2,1-3H3/p+1