N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN(N=C4C)CC=C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN(N=C4C)CC=C

InChI

InChI=1S/C27H32N4O/c1-4-14-31-19-25(21(3)29-31)18-30-15-12-23(13-16-30)27(32)28-26-10-8-22(9-11-26)24-7-5-6-20(2)17-24/h4-11,17,19,23H,1,12-16,18H2,2-3H3,(H,28,32)/p+1