1-(4-aminophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-aminophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-aminophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-(4-aminophenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-aminophenyl)-3-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C20H25N3O/c21-19-8-6-18(7-9-19)20(24)10-11-22-12-14-23(15-13-22)16-17-4-2-1-3-5-17/h1-9H,10-16,21H2/p+1