(2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3,5-dimethoxyphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-18(23(27)24-19-15-21(28-2)17-22(16-19)29-3)26-11-9-25(10-12-26)13-14-30-20-7-5-4-6-8-20/h4-8,15-18H,9-14H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1