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

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-(phenylmethyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-18-23(19(2)28(26-18)16-21-11-7-4-8-12-21)24(29)25-22-13-14-27(17-22)15-20-9-5-3-6-10-20/h3-12,22H,13-17H2,1-2H3,(H,25,29)/p+1/t22-/m0/s1