3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O/c1-18-9-11-22(12-10-18)16-29-20(3)24(19(2)27-29)25(30)26-23-13-14-28(17-23)15-21-7-5-4-6-8-21/h4-12,23H,13-17H2,1-3H3,(H,26,30)/p+1/t23-/m0/s1