4-(5-methylpyrazol-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: 4-(5-methyl-1-pyrazolyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-17-11-13-23-26(17)21-9-7-19(8-10-21)22(27)24-20-12-14-25(16-20)15-18-5-3-2-4-6-18/h2-11,13,20H,12,14-16H2,1H3,(H,24,27)/p+1/t20-/m0/s1