N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC4=C(C3)C=C(C=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC4=C(C3)C=C(C=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C25H29N5O/c31-25(20-8-11-26-12-9-20)28-23-7-6-18-10-13-30(16-21(18)14-23)17-22-15-27-29-24(22)19-4-2-1-3-5-19/h6-9,11-12,14-15,19H,1-5,10,13,16-17H2,(H,27,29)(H,28,31)/p+1