(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)propan-1-one

Systemtic Name: (2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)propan-1-one CAS Name: (2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-(4-methylphenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)propan-1-one Traditional Name: (2S)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)propan-1-one Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24N2O3/c1-15-5-7-17(8-6-15)24-16(2)19(22)21-11-9-20(10-12-21)14-18-4-3-13-23-18/h3-8,13,16H,9-12,14H2,1-2H3/p+1/t16-/m0/s1