[(4S)-4-phenylazepan-1-yl]-[6-(pyridin-3-ylmethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(4S)-4-phenylazepan-1-yl]-[6-(pyridin-3-ylmethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(4S)-4-phenylazepan-1-yl]-[6-(3-pyridylmethylamino)pyridin-1-ium-3-yl]methanone CAS Name: [(4S)-4-phenyl-1-azepanyl]-[6-(3-pyridinylmethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [(4S)-4-phenylazepan-1-yl]-[6-(pyridin-3-ylmethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(4S)-4-phenylazepan-1-yl]-[6-(3-pyridylmethylamino)pyridin-1-ium-3-yl]methanone Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c29-24(28-14-5-9-21(12-15-28)20-7-2-1-3-8-20)22-10-11-23(27-18-22)26-17-19-6-4-13-25-16-19/h1-4,6-8,10-11,13,16,18,21H,5,9,12,14-15,17H2,(H,26,27)/p+1/t21-/m0/s1