(2S)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-N-(4-phenoxyphenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-N-(4-phenoxyphenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]propionamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)[C@H]4CCCO4

InChI

InChI=1S/C24H29N3O4/c1-18(26-13-15-27(16-14-26)24(29)22-8-5-17-30-22)23(28)25-19-9-11-21(12-10-19)31-20-6-3-2-4-7-20/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3,(H,25,28)/p+1/t18-,22+/m0/s1