N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O2/c26-20(18-5-7-19(8-6-18)25-12-4-11-23-25)22-17-21(9-2-1-3-10-21)24-13-15-27-16-14-24/h4-8,11-12H,1-3,9-10,13-17H2,(H,22,26)/p+1