4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-butoxy-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C25H35N3O3/c1-4-5-16-31-23-12-8-21(9-13-23)25(29)26-19-24(28-14-17-30-18-15-28)20-6-10-22(11-7-20)27(2)3/h6-13,24H,4-5,14-19H2,1-3H3,(H,26,29)/p+1/t24-/m1/s1