1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C25H38N5O+ MolecularWeight: 424.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H37N5O/c1-20-23(18-28(2)27-20)19-29-14-11-24(12-15-29)30-16-9-22(10-17-30)25(31)26-13-8-21-6-4-3-5-7-21/h3-7,18,22,24H,8-17,19H2,1-2H3,(H,26,31)/p+1