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

Systemtic Name: (4-hexoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanone CAS Name: (4-hexoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanone Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-2-3-4-8-19-28-23-13-11-22(12-14-23)24(27)26-17-15-25(16-18-26)20-21-9-6-5-7-10-21/h5-7,9-14H,2-4,8,15-20H2,1H3/p+1