N-cyclopropyl-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4/c25-19(22-17-6-7-17)14-23-9-11-24(12-10-23)21(26)20-16(8-13-27-20)15-28-18-4-2-1-3-5-18/h1-5,8,13,17H,6-7,9-12,14-15H2,(H,22,25)/p+1