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

Systemtic Name: 3,5-diethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,5-diethoxy-benzamide CAS Name: 3,5-diethoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,5-diethoxybenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3,5-diethoxy-benzamide Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C28H33N3O3/c1-3-33-26-18-23(19-27(20-26)34-4-2)28(32)29-24-10-12-25(13-11-24)31-16-14-30(15-17-31)21-22-8-6-5-7-9-22/h5-13,18-20H,3-4,14-17,21H2,1-2H3,(H,29,32)/p+1