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

Systemtic Name: 5-chloranyl-3-methyl-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]-5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O/c1-17-8-10-20(11-9-17)15-29-23(25)22(18(2)27-29)24(30)26-21-12-13-28(16-21)14-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1