8-bromanyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinazolin-4-amine

Systemtic Name: 8-bromanyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinazolin-4-amine Openeye Name: 8-bromo-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinazolin-4-amine CAS Name: 8-bromo-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-quinazolinamine IUPAC Name: 8-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]quinazolin-4-amine Traditional Name: (8-bromoquinazolin-4-yl)-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C18H20BrN4O+ MolecularWeight: 388.2816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=NC=NC3=C2C=CC=C3Br)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=NC=NC3=C2C=CC=C3Br)C4=CC=CO4

InChI

InChI=1S/C18H19BrN4O/c19-14-6-3-5-13-17(14)21-12-22-18(13)20-11-15(16-7-4-10-24-16)23-8-1-2-9-23/h3-7,10,12,15H,1-2,8-9,11H2,(H,20,21,22)/p+1/t15-/m0/s1