(3-chloranyl-4-ethoxy-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(3-chloro-4-ethoxy-phenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[(3-chloro-4-ethoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[(3-chloro-4-ethoxyphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-(3-chloro-4-ethoxy-benzyl)ammonium Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-3-28-20-7-6-17(13-19(20)22)14-23-15-18-5-4-8-24-21(18)26-11-9-25(10-12-26)16(2)27/h4-8,13,23H,3,9-12,14-15H2,1-2H3/p+1