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

Systemtic Name: N,1-dimethyl-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,1-dimethyl-pyrazole-3-carboxamide CAS Name: N,1-dimethyl-N-[(1S)-1-[1-(3-methylbutyl)-4-piperidin-1-iumyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,1-dimethyl-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,1-dimethyl-pyrazole-3-carboxamide Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)C(CC2=CC=CC=C2)N(C)C(=O)C3=NN(C=C3)C

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)[C@H](CC2=CC=CC=C2)N(C)C(=O)C3=NN(C=C3)C

InChI

InChI=1S/C24H36N4O/c1-19(2)10-15-28-16-11-21(12-17-28)23(18-20-8-6-5-7-9-20)27(4)24(29)22-13-14-26(3)25-22/h5-9,13-14,19,21,23H,10-12,15-18H2,1-4H3/p+1/t23-/m0/s1