2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]pyrrolidine-1-carbaldehyde hydrochloride

Systemtic Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]pyrrolidine-1-carbaldehyde hydrochloride Openeye Name: 2-[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]pyrrolidine-1-carbaldehyde hydrochloride CAS Name: 2-[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]-1-pyrrolidinecarboxaldehyde hydrochloride IUPAC Name: 2-[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]pyrrolidine-1-carbaldehyde hydrochloride Traditional Name: 2-[4-(4-phenethylpiperazino)benzothiophen-2-yl]pyrrolidine-1-carbaldehyde hydrochloride Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C=O)C2=CC3=C(C=CC=C3S2)N4CCN(CC4)CCC5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(N(C1)C=O)C2=CC3=C(C=CC=C3S2)N4CCN(CC4)CCC5=CC=CC=C5.Cl

InChI

InChI=1S/C25H29N3OS.ClH/c29-19-28-12-5-9-23(28)25-18-21-22(8-4-10-24(21)30-25)27-16-14-26(15-17-27)13-11-20-6-2-1-3-7-20;/h1-4,6-8,10,18-19,23H,5,9,11-17H2;1H