N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide

Systemtic Name: N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide Openeye Name: N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide CAS Name: N-methyl-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[(1S)-1-(4-pyrimidinyl)ethyl]benzamide IUPAC Name: N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide Traditional Name: N-methyl-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-(4-pyrimidyl)ethyl]benzamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)N(C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)N(C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-21(26-12-16-28-20-29-26)30(2)27(32)23-8-10-24(11-9-23)33-25-14-18-31(19-15-25)17-13-22-6-4-3-5-7-22/h3-12,16,20-21,25H,13-15,17-19H2,1-2H3/p+1/t21-/m0/s1