(2S)-2-(3,4-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-15-6-7-18(13-16(15)2)25-17(3)20(23)22-10-8-21(9-11-22)14-19-5-4-12-24-19/h4-7,12-13,17H,8-11,14H2,1-3H3/p+1/t17-/m0/s1