N',N'-diethyl-N-[[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl]ethane-1,2-diamine

Systemtic Name: N',N'-diethyl-N-[[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl]ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-[[1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methyl]ethane-1,2-diamine CAS Name: N',N'-diethyl-N-[[1-methyl-4-(1-phenyl-3-isoquinolinyl)-1-piperazin-1-iumyl]methyl]ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-[[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl]ethane-1,2-diamine Traditional Name: diethyl-[2-[[1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methylamino]ethyl]amine Formula: C27H38N5+ MolecularWeight: 432.62412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N5/c1-4-30(5-2)16-15-28-22-32(3)19-17-31(18-20-32)26-21-24-13-9-10-14-25(24)27(29-26)23-11-7-6-8-12-23/h6-14,21,28H,4-5,15-20,22H2,1-3H3/q+1