3-[(1-tert-butylpyrrol-3-yl)methyl]-8-thiophen-2-ylcarbonyl-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one

Systemtic Name: 3-[(1-tert-butylpyrrol-3-yl)methyl]-8-thiophen-2-ylcarbonyl-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one Openeye Name: 3-[(1-tert-butylpyrrol-3-yl)methyl]-8-(thiophene-2-carbonyl)-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one CAS Name: 3-[(1-tert-butyl-3-pyrrolyl)methyl]-8-[oxo(thiophen-2-yl)methyl]-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one IUPAC Name: 3-[(1-tert-butylpyrrol-3-yl)methyl]-8-(thiophene-2-carbonyl)-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one Traditional Name: 3-[(1-tert-butylpyrrol-3-yl)methyl]-8-(2-thenoyl)-11-oxa-8,9-diaza-3-azoniaspiro[5.5]undecan-10-one Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC(=C1)C[NH+]2CCC3(CC2)CN(NC(=O)O3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)N1C=CC(=C1)C[NH+]2CCC3(CC2)CN(NC(=O)O3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H28N4O3S/c1-20(2,3)24-9-6-16(14-24)13-23-10-7-21(8-11-23)15-25(22-19(27)28-21)18(26)17-5-4-12-29-17/h4-6,9,12,14H,7-8,10-11,13,15H2,1-3H3,(H,22,27)/p+1