[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholino-methanone CAS Name: [1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholino-methanone Formula: C23H37N3OS+2 MolecularWeight: 403.62438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCSCC4

InChI

InChI=1S/C23H35N3OS/c1-19-4-2-3-5-21(19)18-24-10-8-22(9-11-24)25-12-6-20(7-13-25)23(27)26-14-16-28-17-15-26/h2-5,20,22H,6-18H2,1H3/p+2