N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,2-dimethyl-propanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,2-dimethyl-propanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,2-dimethylpropanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2,2-dimethyl-propionamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-25(2,3)24(30)26-19-23(20-11-13-21(14-12-20)27(4)5)29-17-15-28(16-18-29)22-9-7-6-8-10-22/h6-14,23H,15-19H2,1-5H3,(H,26,30)/p+1/t23-/m1/s1