[1-(phenylmethyl)-4-thiomorpholin-4-yl-piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-(phenylmethyl)-4-thiomorpholin-4-yl-piperidin-1-ium-4-yl]methylazanium Openeye Name: (1-benzyl-4-thiomorpholino-piperidin-1-ium-4-yl)methylammonium CAS Name: [1-(phenylmethyl)-4-thiomorpholin-4-yl-4-piperidin-1-iumyl]methylammonium IUPAC Name: (1-benzyl-4-thiomorpholin-4-ylpiperidin-1-ium-4-yl)methylazanium Traditional Name: (1-benzyl-4-thiomorpholino-piperidin-1-ium-4-yl)methylammonium Formula: C17H29N3S+2 MolecularWeight: 307.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C[NH3+])N2CCSCC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1(C[NH3+])N2CCSCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H27N3S/c18-15-17(20-10-12-21-13-11-20)6-8-19(9-7-17)14-16-4-2-1-3-5-16/h1-5H,6-15,18H2/p+2