1-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]-N-methyl-1-phenyl-methanamine

Systemtic Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]-N-methyl-1-phenyl-methanamine Openeye Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]-N-methyl-1-phenyl-methanamine CAS Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumylidene]-N-methyl-1-phenylmethanamine IUPAC Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]-N-methyl-1-phenylmethanamine Traditional Name: [[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-ylidene]-phenyl-methyl]-methyl-amine Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=[N+]1CC[NH+](CC1)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CNC(=[N+]1CC[NH+](CC1)CCOC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-22-21(18-6-4-3-5-7-18)24-14-12-23(13-15-24)16-17-26-20-10-8-19(25-2)9-11-20/h3-11H,12-17H2,1-2H3/p+2