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

Systemtic Name: 5-methyl-1-(3-methylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-1-(m-tolyl)pyrazole-4-carboxamide CAS Name: 5-methyl-1-(3-methylphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-1-(m-tolyl)pyrazole-4-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O/c1-17-7-6-10-21(13-17)27-18(2)22(14-24-27)23(28)25-20-11-12-26(16-20)15-19-8-4-3-5-9-19/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,25,28)/p+1/t20-/m0/s1