4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone Formula: C18H27N2OS+ MolecularWeight: 319.48478

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCCC3

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)CCCCCC3

InChI

InChI=1S/C18H26N2OS/c1-2-9-19-10-12-20(13-11-19)18(21)17-14-15-7-5-3-4-6-8-16(15)22-17/h2,14H,1,3-13H2/p+1