8-[(2S)-butan-2-yl]-2-ethyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-[(2S)-butan-2-yl]-2-ethyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-ethyl-8-[(1S)-1-methylpropyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-[(2S)-butan-2-yl]-2-ethyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-[(2S)-butan-2-yl]-2-ethyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-ethyl-8-[(1S)-1-methylpropyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCC2(CC1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC

Isomeric SMILES

CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC

InChI

InChI=1S/C21H31N3O2/c1-4-17(3)22-15-12-21(13-16-22)19(25)23(5-2)20(26)24(21)14-11-18-9-7-6-8-10-18/h6-10,17H,4-5,11-16H2,1-3H3/p+1/t17-/m0/s1