1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C20H30N2S+2 MolecularWeight: 330.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C20H28N2S/c1-16-18-7-3-4-8-19(18)23-20(16)15-21-13-9-17(10-14-21)22-11-5-2-6-12-22/h3-4,7-8,17H,2,5-6,9-15H2,1H3/p+2