N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3/c31-26(28-23-11-12-24-25(19-23)33-18-17-32-24)20-29-13-15-30(16-14-29)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,27H,13-18,20H2,(H,28,31)/p+1