2,5-dimethyl-N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(2R)-2-[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]pyrazole-3-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC(C)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC[C@@H](C)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-20-17-26(30(3)29-20)27(32)28-18-21(2)33-25-11-9-22(10-12-25)19-31-15-13-24(14-16-31)23-7-5-4-6-8-23/h4-12,17,21,24H,13-16,18-19H2,1-3H3,(H,28,32)/p+1/t21-/m1/s1