3-(4-tert-butylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-(4-tert-butylphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H32N4O/c1-23(2,3)19-8-5-18(6-9-19)7-12-22(28)25-20-10-11-21(24-17-20)27-15-13-26(4)14-16-27/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,25,28)/p+1