[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanamine

Systemtic Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanamine Openeye Name: [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methanamine CAS Name: [1-methyl-4-(1-phenyl-3-isoquinolinyl)-1-piperazin-1-iumyl]methanamine IUPAC Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methanamine Traditional Name: [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methylamine Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CN

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)CN

InChI

InChI=1S/C21H25N4/c1-25(16-22)13-11-24(12-14-25)20-15-18-9-5-6-10-19(18)21(23-20)17-7-3-2-4-8-17/h2-10,15H,11-14,16,22H2,1H3/q+1