6-chloranyl-4-phenyl-2-piperazin-4-ium-1-yl-quinazoline

Systemtic Name: 6-chloranyl-4-phenyl-2-piperazin-4-ium-1-yl-quinazoline Openeye Name: 6-chloro-4-phenyl-2-piperazin-4-ium-1-yl-quinazoline CAS Name: 6-chloro-4-phenyl-2-(1-piperazin-4-iumyl)quinazoline IUPAC Name: 6-chloro-4-phenyl-2-piperazin-4-ium-1-ylquinazoline Traditional Name: 6-chloro-4-phenyl-2-piperazin-4-ium-1-yl-quinazoline Formula: C18H18ClN4+ MolecularWeight: 325.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2/p+1