(2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-methyl-propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-methylpropanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-methyl-propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18(23(28)24(3)17-20-7-5-4-6-8-20)25-13-15-26(16-14-25)22-11-9-21(10-12-22)19(2)27/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m1/s1