1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]ethoxy]phenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]ethoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[4-[2-[4-(3-methylthiophene-2-carbonyl)piperazino]ethoxy]benzyl]ammonium Formula: C29H34N3O2S2+ MolecularWeight: 520.72916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)C[NH+](C)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)C[NH+](C)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C29H33N3O2S2/c1-22-11-18-35-28(22)29(33)32-14-12-31(13-15-32)16-17-34-25-9-7-23(8-10-25)20-30(2)21-26-19-24-5-3-4-6-27(24)36-26/h3-11,18-19H,12-17,20-21H2,1-2H3/p+1