(E)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c28-23(12-11-20-15-24-27(17-20)22-9-5-2-6-10-22)25-21-13-14-26(18-21)16-19-7-3-1-4-8-19/h1-12,15,17,21H,13-14,16,18H2,(H,25,28)/p+1/b12-11+/t21-/m0/s1