N-[4-(3-methylphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C27H34N4O/c1-4-14-31-21(3)25(18-28-31)19-30-15-12-23(13-16-30)27(32)29-26-10-8-22(9-11-26)24-7-5-6-20(2)17-24/h5-11,17-18,23H,4,12-16,19H2,1-3H3,(H,29,32)/p+1