[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)-1-piperidyl]-(2-thienyl)methanone CAS Name: [4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-benzylpiperazine-1,4-diium-1-yl)piperidino]-(2-thienyl)methanone Formula: C21H29N3OS+2 MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3OS/c25-21(20-7-4-16-26-20)24-10-8-19(9-11-24)23-14-12-22(13-15-23)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2/p+2