3,4,5-triethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxy-benzamide Formula: C30H38N3O4+ MolecularWeight: 504.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H37N3O4/c1-4-35-27-20-24(21-28(36-5-2)29(27)37-6-3)30(34)31-25-12-14-26(15-13-25)33-18-16-32(17-19-33)22-23-10-8-7-9-11-23/h7-15,20-21H,4-6,16-19,22H2,1-3H3,(H,31,34)/p+1