3-(butylamino)-1-morpholin-4-ium-4-yl-3-pyridin-4-yl-prop-2-ene-1-thione

Systemtic Name: 3-(butylamino)-1-morpholin-4-ium-4-yl-3-pyridin-4-yl-prop-2-ene-1-thione Openeye Name: 3-(butylamino)-1-morpholin-4-ium-4-yl-3-(4-pyridyl)prop-2-ene-1-thione CAS Name: 3-(butylamino)-1-(4-morpholin-4-iumyl)-3-pyridin-4-yl-2-propene-1-thione IUPAC Name: 3-(butylamino)-1-morpholin-4-ium-4-yl-3-pyridin-4-ylprop-2-ene-1-thione Traditional Name: 3-(butylamino)-1-morpholin-4-ium-4-yl-3-(4-pyridyl)prop-2-ene-1-thione Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=S)[NH+]1CCOCC1)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=CC(=S)[NH+]1CCOCC1)C2=CC=NC=C2

InChI

InChI=1S/C16H23N3OS/c1-2-3-6-18-15(14-4-7-17-8-5-14)13-16(21)19-9-11-20-12-10-19/h4-5,7-8,13,18H,2-3,6,9-12H2,1H3/p+1