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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCCCCC4

InChI

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