[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c1-25-18-13-17(14-19(26-2)20(18)27-3)21(24)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3/p+1