4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide

Systemtic Name: 4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide Openeye Name: 3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-N-(pyrimidin-4-ylmethyl)benzamide CAS Name: 4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]-N-(4-pyrimidinylmethyl)benzamide IUPAC Name: 4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide Traditional Name: 3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-N-(4-pyrimidylmethyl)benzamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCC3=NC=NC=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCC3=NC=NC=C3)OC

InChI

InChI=1S/C21H28N4O3/c1-15(2)25-10-7-18(8-11-25)28-20-12-16(4-5-19(20)27-3)21(26)23-13-17-6-9-22-14-24-17/h4-6,9,12,14-15,18H,7-8,10-11,13H2,1-3H3,(H,23,26)/p+1