N,2,5-trimethyl-N-[(1S)-1-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide

Systemtic Name: N,2,5-trimethyl-N-[(1S)-1-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(1-isopentylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-carboxamide CAS Name: N,2,5-trimethyl-N-[(1S)-1-[1-(3-methylbutyl)-4-piperidin-1-iumyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,2,5-trimethyl-N-[(1S)-1-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-2-phenylethyl]pyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(1-isoamylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]-N,2,5-trimethyl-pyrazole-3-carboxamide Formula: C25H39N4O+ MolecularWeight: 411.60336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(C)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CCC(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CCC(C)C)C

InChI

InChI=1S/C25H38N4O/c1-19(2)11-14-29-15-12-22(13-16-29)23(18-21-9-7-6-8-10-21)27(4)25(30)24-17-20(3)26-28(24)5/h6-10,17,19,22-23H,11-16,18H2,1-5H3/p+1/t23-/m0/s1