(3S)-1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(o-tolylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-methylbenzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C23H26N4O/c1-17-5-2-3-6-19(17)15-27-14-4-7-20(16-27)23(28)25-21-10-8-18(9-11-21)22-12-13-24-26-22/h2-3,5-6,8-13,20H,4,7,14-16H2,1H3,(H,24,26)(H,25,28)/p+1/t20-/m0/s1