N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropyl)piperazine-1,4-diium-1-yl]acetamide Formula: C23H33N3O2+2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCCOC3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O2/c1-19-8-6-11-22(20(19)2)24-23(27)18-26-15-13-25(14-16-26)12-7-17-28-21-9-4-3-5-10-21/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,27)/p+2