N-cyclopropyl-2-[4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-benzyloxy-3-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-benzoxy-3-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4/c1-30-22-15-19(7-10-21(22)31-17-18-5-3-2-4-6-18)24(29)27-13-11-26(12-14-27)16-23(28)25-20-8-9-20/h2-7,10,15,20H,8-9,11-14,16-17H2,1H3,(H,25,28)/p+1