N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide Formula: C28H41N4O4+ MolecularWeight: 497.64954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H40N4O4/c1-3-35-26-20-25(32-15-17-34-18-16-32)27(36-4-2)19-24(26)29-28(33)22-31-12-8-11-30(13-14-31)21-23-9-6-5-7-10-23/h5-7,9-10,19-20H,3-4,8,11-18,21-22H2,1-2H3,(H,29,33)/p+1