4-phenethyl-2-propan-2-yl-8-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-phenethyl-2-propan-2-yl-8-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-8-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-propan-2-yl-8-[(2R)-4-(1-pyrazolyl)butan-2-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-propan-2-yl-8-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-8-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)C(C)CCN3C=CC=N3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H35N5O2/c1-20(2)30-23(31)25(29(24(30)32)17-11-22-8-5-4-6-9-22)12-18-27(19-13-25)21(3)10-16-28-15-7-14-26-28/h4-9,14-15,20-21H,10-13,16-19H2,1-3H3/p+1/t21-/m1/s1