2,2-dimethyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]propanamide Openeye Name: 2,2-dimethyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]propanamide CAS Name: 2,2-dimethyl-N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]propanamide Traditional Name: 2,2-dimethyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]propionamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-22(2,3)21(27)24-17-20(18-8-7-11-23-16-18)26-14-12-25(13-15-26)19-9-5-4-6-10-19/h4-11,16,20H,12-15,17H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1