7-chloranyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinazolin-4-amine

Systemtic Name: 7-chloranyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinazolin-4-amine Openeye Name: 7-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinazolin-4-amine CAS Name: 7-chloro-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-4-quinazolinamine IUPAC Name: 7-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]quinazolin-4-amine Traditional Name: (7-chloroquinazolin-4-yl)-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]amine Formula: C22H27ClN5O+ MolecularWeight: 412.93568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C22H26ClN5O/c1-29-19-6-4-18(5-7-19)28-13-11-27(12-14-28)10-2-9-24-22-20-8-3-17(23)15-21(20)25-16-26-22/h3-8,15-16H,2,9-14H2,1H3,(H,24,25,26)/p+1