butanedioate; 6-phenylhexan-3-yl(tripropyl)azanium

Systemtic Name: butanedioate; 6-phenylhexan-3-yl(tripropyl)azanium Openeye Name: butanedioate; (1-ethyl-4-phenyl-butyl)-tripropyl-ammonium CAS Name: butanedioate; 6-phenylhexan-3-yl(tripropyl)ammonium IUPAC Name: butanedioate; 6-phenylhexan-3-yl(tripropyl)azanium Traditional Name: (1-ethyl-4-phenyl-butyl)-tripropyl-ammonium; succinate Formula: C46H80N2O4 MolecularWeight: 725.1384

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)C(CC)CCCC1=CC=CC=C1.CCC[N+](CCC)(CCC)C(CC)CCCC1=CC=CC=C1.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)C(CC)CCCC1=CC=CC=C1.CCC[N+](CCC)(CCC)C(CC)CCCC1=CC=CC=C1.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C21H38N.C4H6O4/c2*1-5-17-22(18-6-2,19-7-3)21(8-4)16-12-15-20-13-10-9-11-14-20;5-3(6)1-2-4(7)8/h2*9-11,13-14,21H,5-8,12,15-19H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/q2*+1;/p-2