N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoline-8-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoline-8-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]quinoline-8-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-8-quinolinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]quinoline-8-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]quinoline-8-carboxamide Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=CC3=C2N=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC=CC3=C2N=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21(19-10-4-8-17-9-5-12-22-20(17)19)23-18-11-13-24(15-18)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,25)/p+1/t18-/m0/s1