N-[3-(4-methoxyphenyl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide CAS Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridinecarboxamide IUPAC Name: N-[3-(4-methoxyphenyl)propyl]-6-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[3-(4-methoxyphenyl)propyl]nicotinamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N4O2/c1-18(2)26-13-15-27(16-14-26)22-11-8-20(17-25-22)23(28)24-12-4-5-19-6-9-21(29-3)10-7-19/h6-11,17-18H,4-5,12-16H2,1-3H3,(H,24,28)/p+1