N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pentoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pentoxy-benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-pentoxy-benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-pentoxybenzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C25H34N2O4/c1-3-4-5-16-31-23-12-8-21(9-13-23)25(28)26-19-24(27-14-17-30-18-15-27)20-6-10-22(29-2)11-7-20/h6-13,24H,3-5,14-19H2,1-2H3,(H,26,28)/p+1/t24-/m1/s1