2-(4-methylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-3-ium-4-amine

Systemtic Name: 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-3-ium-4-amine Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-3-ium-4-amine CAS Name: 2-(4-methyl-1-piperazinyl)-N-[(1S)-1-phenylethyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-3-ium-4-amine Traditional Name: [2-(4-methylpiperazino)quinazolin-3-ium-4-yl]-[(1S)-1-phenylethyl]amine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=[NH+]C(=NC3=CC=CC=C32)N4CCN(CC4)C

InChI

InChI=1S/C21H25N5/c1-16(17-8-4-3-5-9-17)22-20-18-10-6-7-11-19(18)23-21(24-20)26-14-12-25(2)13-15-26/h3-11,16H,12-15H2,1-2H3,(H,22,23,24)/p+1/t16-/m0/s1