N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-18(27)23-17-22(19-9-11-20(12-10-19)24(2)3)26-15-13-25(14-16-26)21-7-5-4-6-8-21/h4-12,22H,13-17H2,1-3H3,(H,23,27)/p+1/t22-/m1/s1