2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 2-[[(E)-3-(2-furyl)acryloyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H25N3O4/c25-20(9-8-17-5-3-14-28-17)23-19-7-2-1-6-18(19)21(26)22-10-4-11-24-12-15-27-16-13-24/h1-3,5-9,14H,4,10-13,15-16H2,(H,22,26)(H,23,25)/p+1/b9-8+