3,3-dimethyl-1-[(2R)-8-methyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-4-oxa-1-azaspiro[4.5]decan-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[(2R)-8-methyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-4-oxa-1-azaspiro[4.5]decan-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[(2R)-8-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-4-oxa-1-azaspiro[4.5]decan-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[(2R)-8-methyl-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4-oxa-1-azaspiro[4.5]decan-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[(2R)-8-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-4-oxa-1-azaspiro[4.5]decan-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[(2R)-8-methyl-2-(4-methylpiperazin-4-ium-1-carbonyl)-4-oxa-1-azaspiro[4.5]decan-1-yl]butan-1-one Formula: C21H38N3O3+ MolecularWeight: 380.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)N(C(CO2)C(=O)N3CC[NH+](CC3)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC1CCC2(CC1)N([C@H](CO2)C(=O)N3CC[NH+](CC3)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H37N3O3/c1-16-6-8-21(9-7-16)24(18(25)14-20(2,3)4)17(15-27-21)19(26)23-12-10-22(5)11-13-23/h16-17H,6-15H2,1-5H3/p+1/t16?,17-,21?/m1/s1