6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-[(1S)-tetralin-1-yl]-1H-pyridine-3-carboxamide CAS Name: 6-(1-azepan-1-iumylmethyl)-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-2-keto-N-[(1S)-tetralin-1-yl]-1H-pyridine-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC3CCCC4=CC=CC=C34

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)N[C@H]3CCCC4=CC=CC=C34

InChI

InChI=1S/C23H29N3O2/c27-22-20(13-12-18(24-22)16-26-14-5-1-2-6-15-26)23(28)25-21-11-7-9-17-8-3-4-10-19(17)21/h3-4,8,10,12-13,21H,1-2,5-7,9,11,14-16H2,(H,24,27)(H,25,28)/p+1/t21-/m0/s1