[4-(phenylmethyl)piperazin-4-ium-1-yl]-(4-prop-2-enoxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(4-prop-2-enoxyphenyl)methanone Openeye Name: (4-allyloxyphenyl)-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(4-prop-2-enoxyphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-prop-2-enoxyphenyl)methanone Traditional Name: (4-allyloxyphenyl)-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-2-16-25-20-10-8-19(9-11-20)21(24)23-14-12-22(13-15-23)17-18-6-4-3-5-7-18/h2-11H,1,12-17H2/p+1