3-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]imidazole-4-carboxamide

Systemtic Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]imidazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenyl-imidazole-4-carboxamide CAS Name: 3-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-imidazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenylimidazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-phenyl-imidazole-4-carboxamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CN=CN2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CN=CN2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21(20-13-22-16-25(20)19-9-5-2-6-10-19)23-18-11-12-24(15-18)14-17-7-3-1-4-8-17/h1-10,13,16,18H,11-12,14-15H2,(H,23,26)/p+1/t18-/m0/s1