(3-azanyl-3-sulfanylidene-propyl)-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-(phenylmethyl)-propan-2-yl-azanium Openeye Name: (3-amino-3-thioxo-propyl)-benzyl-isopropyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-(phenylmethyl)-propan-2-ylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-benzyl-propan-2-ylazanium Traditional Name: (3-amino-3-thioxo-propyl)-benzyl-isopropyl-ammonium Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(=S)N)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[NH+](CCC(=S)N)CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2S/c1-11(2)15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,14,16)/p+1