N-(furan-2-ylmethyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=CO3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H25N3O2/c1-15-5-7-17(8-6-15)22-10-9-21(13-16(22)2)14-19(23)20-12-18-4-3-11-24-18/h3-8,11,16H,9-10,12-14H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1