(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-butanamide

Systemtic Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-butanamide Openeye Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-butanamide CAS Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenylbutanamide IUPAC Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenylbutanamide Traditional Name: (3S)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-butyramide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC(C1=CC=C(C=C1)OC)[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(=O)NC[C@H](C1=CC=C(C=C1)OC)[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-18(19-6-4-3-5-7-19)16-23(26)24-17-22(25-12-14-28-15-13-25)20-8-10-21(27-2)11-9-20/h3-11,18,22H,12-17H2,1-2H3,(H,24,26)/p+1/t18-,22+/m0/s1