3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(azepan-1-yl)propan-1-one

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(azepan-1-yl)propan-1-one Openeye Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(azepan-1-yl)propan-1-one CAS Name: 3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-(1-azepanyl)-1-propanone IUPAC Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(azepan-1-yl)propan-1-one Traditional Name: 3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(azepan-1-yl)propan-1-one Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCC(=O)N3CCCCCC3)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCC(=O)N3CCCCCC3)N

InChI

InChI=1S/C20H32N4O/c1-22-12-14-23(15-13-22)19-8-6-17(16-18(19)21)7-9-20(25)24-10-4-2-3-5-11-24/h6,8,16H,2-5,7,9-15,21H2,1H3/p+1