N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]quinazolin-3-ium-4-amine

Systemtic Name: N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-quinazolin-3-ium-4-amine CAS Name: N-cyclohexyl-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-3-ium-4-amine Traditional Name: [2-(4-benzylpiperazino)quinazolin-3-ium-4-yl]-cyclohexyl-amine Formula: C25H32N5+ MolecularWeight: 402.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-3-9-20(10-4-1)19-29-15-17-30(18-16-29)25-27-23-14-8-7-13-22(23)24(28-25)26-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,26,27,28)/p+1