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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C24H32N2O4/c1-18(2)17-30-22-10-6-20(7-11-22)24(27)25-16-23(26-12-14-29-15-13-26)19-4-8-21(28-3)9-5-19/h4-11,18,23H,12-17H2,1-3H3,(H,25,27)/p+1/t23-/m1/s1