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

Systemtic Name: azepan-1-yl-[(5R)-1-ethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[(5R)-1-ethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[(5R)-1-ethyl-5-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-1-ethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[(5R)-1-ethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C26H45N5O+2 MolecularWeight: 443.6684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H43N5O/c1-2-31-24-11-10-22(29-18-12-21(13-19-29)28-14-8-5-9-15-28)20-23(24)25(27-31)26(32)30-16-6-3-4-7-17-30/h21-22H,2-20H2,1H3/p+2/t22-/m1/s1