[(5R)-5-(azepan-1-ium-1-yl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(5R)-5-(azepan-1-ium-1-yl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [(5R)-5-(azepan-1-ium-1-yl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidyl)methanone CAS Name: [(5R)-5-(1-azepan-1-iumyl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidinyl)methanone IUPAC Name: [(5R)-5-(azepan-1-ium-1-yl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [(5R)-5-(azepan-1-ium-1-yl)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidino-methanone Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C21H34N4O/c1-2-25-19-11-10-17(23-12-6-3-4-7-13-23)16-18(19)20(22-25)21(26)24-14-8-5-9-15-24/h17H,2-16H2,1H3/p+1/t17-/m1/s1