N-(3-azanyl-4-ethyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)N

InChI

InChI=1S/C19H24N4O3/c1-2-14-5-6-15(12-16(14)20)21-18(24)13-22-7-9-23(10-8-22)19(25)17-4-3-11-26-17/h3-6,11-12H,2,7-10,13,20H2,1H3,(H,21,24)/p+1