N-(2,5-dimethylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-furylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-4-(2-furfuryl)piperazin-4-ium-1-carboxamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-14-5-6-15(2)17(12-14)19-18(22)21-9-7-20(8-10-21)13-16-4-3-11-23-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)/p+1