1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-propanoylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-propanoylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-propanoylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-(4-propanoylpiperazin-1-ium-1-yl)ethoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[4-[2-(4-propionylpiperazin-1-ium-1-yl)ethoxy]benzyl]ammonium Formula: C26H35N3O2S+2 MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)C[NH+](C)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)C[NH+](C)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C26H33N3O2S/c1-3-26(30)29-14-12-28(13-15-29)16-17-31-23-10-8-21(9-11-23)19-27(2)20-24-18-22-6-4-5-7-25(22)32-24/h4-11,18H,3,12-17,19-20H2,1-2H3/p+2