(2R)-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C25H35N3O2/c1-20(24(29)28(25(2,3)4)19-21-11-7-6-8-12-21)26-15-17-27(18-16-26)22-13-9-10-14-23(22)30-5/h6-14,20H,15-19H2,1-5H3/p+1/t20-/m1/s1