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

Systemtic Name: 4-phenethyl-2-propan-2-yl-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-4-phenethyl-8-(3-thienylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-propan-2-yl-8-(3-thiophenylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-propan-2-yl-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-4-phenethyl-8-(3-thenyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=CSC=C3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=CSC=C3)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c1-18(2)26-21(27)23(10-13-24(14-11-23)16-20-9-15-29-17-20)25(22(26)28)12-8-19-6-4-3-5-7-19/h3-7,9,15,17-18H,8,10-14,16H2,1-2H3/p+1