(4-dimethylaminophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-dimethylaminophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-dimethylaminophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-dimethylaminophenyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-dimethylaminophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-dimethylaminophenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-22(2)19-10-8-18(9-11-19)21(25)24-14-12-23(13-15-24)16-17-26-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3/p+1