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

Systemtic Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]cyclohexanecarboxamide Openeye Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]cyclohexanecarboxamide CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]cyclohexanecarboxamide Formula: C24H33N4O+ MolecularWeight: 393.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c29-24(20-8-3-1-4-9-20)26-19-23(21-10-7-13-25-18-21)28-16-14-27(15-17-28)22-11-5-2-6-12-22/h2,5-7,10-13,18,20,23H,1,3-4,8-9,14-17,19H2,(H,26,29)/p+1/t23-/m1/s1