cyclopropyl-[[4-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: cyclopropyl-[[4-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: cyclopropyl-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(3-thienylmethyl)ammonium CAS Name: cyclopropyl-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: cyclopropyl-[[4-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: cyclopropyl-[4-(6-ethyl-4-keto-1H-pyrimidin-2-yl)benzyl]-(3-thenyl)ammonium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](CC3=CSC=C3)C4CC4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](CC3=CSC=C3)C4CC4

InChI

InChI=1S/C21H23N3OS/c1-2-18-11-20(25)23-21(22-18)17-5-3-15(4-6-17)12-24(19-7-8-19)13-16-9-10-26-14-16/h3-6,9-11,14,19H,2,7-8,12-13H2,1H3,(H,22,23,25)/p+1