N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-pyrrolidino-nicotinamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O/c26-21(19-9-6-11-22-20(19)25-12-4-5-13-25)23-18-10-14-24(16-18)15-17-7-2-1-3-8-17/h1-3,6-9,11,18H,4-5,10,12-16H2,(H,23,26)/p+1/t18-/m0/s1