N-[4-(azepan-1-yl)phenyl]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C24H38N5O3+ MolecularWeight: 444.59022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C24H37N5O3/c30-23(25-21-5-7-22(8-6-21)28-9-3-1-2-4-10-28)19-26-11-13-27(14-12-26)20-24(31)29-15-17-32-18-16-29/h5-8H,1-4,9-20H2,(H,25,30)/p+1