N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C28H42N4O4+2 MolecularWeight: 498.65748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)[NH+]4CCOCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)[NH+]4CCOCC4)OC

InChI

InChI=1S/C28H40N4O4/c1-4-36-26-10-9-23(19-27(26)34-3)25(31-15-17-35-18-16-31)20-29-28(33)32-13-11-30(12-14-32)21-24-8-6-5-7-22(24)2/h5-10,19,25H,4,11-18,20-21H2,1-3H3,(H,29,33)/p+2/t25-/m0/s1