(E)-but-2-enedioate; 1-(2-ethoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole; hydrate

Systemtic Name: (E)-but-2-enedioate; 1-(2-ethoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole; hydrate Openeye Name: (E)-but-2-enedioate; 1-(2-ethoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole; hydrate CAS Name: (E)-2-butenedioate; 1-(2-ethoxyethyl)-2-(1-piperazinylmethyl)benzimidazole; hydrate IUPAC Name: (E)-but-2-enedioate; 1-(2-ethoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole; hydrate Traditional Name: 1-(2-ethoxyethyl)-2-(piperazinomethyl)benzimidazole fumarate hydrate Formula: C20H28N4O6-2 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1CN3CCNCC3.C(=CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1CN3CCNCC3.C(=C/C(=O)[O-])\C(=O)[O-].O

InChI

InChI=1S/C16H24N4O.C4H4O4.H2O/c1-2-21-12-11-20-15-6-4-3-5-14(15)18-16(20)13-19-9-7-17-8-10-19;5-3(6)1-2-4(7)8;/h3-6,17H,2,7-13H2,1H3;1-2H,(H,5,6)(H,7,8);1H2/p-2/b;2-1+;