N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H32N4O2/c1-3-6-26-28-17-20(18-29-26)19-31-13-11-21(12-14-31)27(32)30-24-9-4-7-22(15-24)23-8-5-10-25(16-23)33-2/h4-5,7-10,15-18,21H,3,6,11-14,19H2,1-2H3,(H,30,32)/p+1