N-(4-aminophenyl)carbonyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine oxide dihydrate

Systemtic Name: N-(4-aminophenyl)carbonyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine oxide dihydrate Openeye Name: N-(4-aminobenzoyl)-2-[4-(4-pyridyl)piperazin-1-yl]ethanamine oxide dihydrate CAS Name: N-[(4-aminophenyl)-oxomethyl]-2-(4-pyridin-4-yl-1-piperazinyl)ethanamine oxide dihydrate IUPAC Name: N-(4-aminobenzoyl)-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine oxide dihydrate Traditional Name: N-(4-aminobenzoyl)-2-[4-(4-pyridyl)piperazino]ethanamine oxide dihydrate Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC[NH+](C(=O)C2=CC=C(C=C2)N)[O-])C3=CC=NC=C3.O.O

Isomeric SMILES

C1CN(CCN1CC[NH+](C(=O)C2=CC=C(C=C2)N)[O-])C3=CC=NC=C3.O.O

InChI

InChI=1S/C18H23N5O2.2H2O/c19-16-3-1-15(2-4-16)18(24)23(25)14-11-21-9-12-22(13-10-21)17-5-7-20-8-6-17;;/h1-8,23H,9-14,19H2;2*1H2