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

Systemtic Name: (2R)-N-(2-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(2-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-(2-methoxyphenyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(2-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(2-methoxyphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-18(22(26)23-20-10-6-7-11-21(20)27-2)25-14-12-24(13-15-25)16-17-28-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)/p+2/t18-/m1/s1