(4-butoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-butoxyphenyl)methanone CAS Name: (4-butoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-butoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-butoxyphenyl)methanone Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-3-17-26-21-11-9-20(10-12-21)22(25)24-15-13-23(14-16-24)18-19-7-5-4-6-8-19/h4-12H,2-3,13-18H2,1H3/p+1