N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N,N-dimethyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolin-3-iumamine IUPAC Name: N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: dimethyl-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amine Formula: C21H27N5+2 MolecularWeight: 349.47258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5/c1-24(2)21-18-10-6-7-11-19(18)22-20(23-21)16-25-12-14-26(15-13-25)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3/p+2