4-(3-methylbutyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-(3-methylbutyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-isopentyl-8-isopropyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-(3-methylbutyl)-8-propan-2-yl-2-(3-pyridinylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-(3-methylbutyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-isoamyl-8-isopropyl-2-(3-pyridylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C(C)C)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C(C)C)CC3=CN=CC=C3

InChI

InChI=1S/C21H32N4O2/c1-16(2)7-11-25-20(27)24(15-18-6-5-10-22-14-18)19(26)21(25)8-12-23(13-9-21)17(3)4/h5-6,10,14,16-17H,7-9,11-13,15H2,1-4H3/p+1