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

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2,2-dimethyl-propanamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,2-dimethyl-propanamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,2-dimethyl-propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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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=C3OC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c1-23(2,3)22(28)25-17-20(18-8-7-11-24-16-18)27-14-12-26(13-15-27)19-9-5-6-10-21(19)29-4/h5-11,16,20H,12-15,17H2,1-4H3,(H,25,28)/p+1/t20-/m1/s1