(2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-18(22(27)24-20-7-5-6-19(16-20)17-23)26-12-10-25(11-13-26)14-15-28-21-8-3-2-4-9-21/h2-9,16,18H,10-15H2,1H3,(H,24,27)/p+2/t18-/m1/s1