[4-(3-phenylpropyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(3-phenylpropyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(3-phenylpropyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(3-phenylpropyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-(3-phenylpropyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-phenylpropyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2OS/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2/p+1