N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-propyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-propylpiperidin-1-ium-4-amine Traditional Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-(1-propylpiperidin-1-ium-4-yl)amine Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H32N4O/c1-3-15-29-16-13-22(14-17-29)26-18-21-19-28(2)27-25(21)20-9-11-24(12-10-20)30-23-7-5-4-6-8-23/h4-12,19,22,26H,3,13-18H2,1-2H3/p+1