4-methyl-2-phenethyl-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-methyl-2-phenethyl-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-methyl-2-phenethyl-8-(2-thienylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-methyl-2-phenethyl-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-methyl-2-phenethyl-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-methyl-2-phenethyl-8-(2-thenyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c1-22-20(26)24(12-9-17-6-3-2-4-7-17)19(25)21(22)10-13-23(14-11-21)16-18-8-5-15-27-18/h2-8,15H,9-14,16H2,1H3/p+1