3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-propyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(7-chloranyl-2-ethyl-quinazolin-4-yl)-propyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-propyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-ethyl-4-quinazolinyl)-propylamino]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(7-chloro-2-ethylquinazolin-4-yl)-propylamino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(7-chloro-2-ethyl-quinazolin-4-yl)-propyl-amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H33ClN5O+ MolecularWeight: 418.98332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N1CC[NH+](CC1)CC)C2=NC(=NC3=C2C=CC(=C3)Cl)CC

Isomeric SMILES

CCCN(CCC(=O)N1CC[NH+](CC1)CC)C2=NC(=NC3=C2C=CC(=C3)Cl)CC

InChI

InChI=1S/C22H32ClN5O/c1-4-10-28(11-9-21(29)27-14-12-26(6-3)13-15-27)22-18-8-7-17(23)16-19(18)24-20(5-2)25-22/h7-8,16H,4-6,9-15H2,1-3H3/p+1