(2S)-N-(4-ethoxyphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O4/c1-3-26-17-8-6-16(7-9-17)21-19(24)15(2)22-10-12-23(13-11-22)20(25)18-5-4-14-27-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1