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

Systemtic Name: azepan-1-yl-[(5R)-1-methyl-5-(4-phenylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[(5R)-1-methyl-5-(4-phenylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[(5R)-1-methyl-5-(4-phenyl-1-piperazin-1-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-1-methyl-5-(4-phenylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[(5R)-1-methyl-5-(4-phenylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C25H36N5O+ MolecularWeight: 422.58624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C25H35N5O/c1-27-23-12-11-21(29-17-15-28(16-18-29)20-9-5-4-6-10-20)19-22(23)24(26-27)25(31)30-13-7-2-3-8-14-30/h4-6,9-10,21H,2-3,7-8,11-19H2,1H3/p+1/t21-/m1/s1