(3E)-N,N-dimethyl-3-(3-methylthioxanthen-9-ylidene)propan-1-amine hydrate dihydrochloride

Systemtic Name: (3E)-N,N-dimethyl-3-(3-methylthioxanthen-9-ylidene)propan-1-amine hydrate dihydrochloride Openeye Name: (3E)-N,N-dimethyl-3-(3-methylthioxanthen-9-ylidene)propan-1-amine hydrate dihydrochloride CAS Name: (3E)-N,N-dimethyl-3-(3-methyl-9-thioxanthenylidene)-1-propanamine hydrate dihydrochloride IUPAC Name: (3E)-N,N-dimethyl-3-(3-methylthioxanthen-9-ylidene)propan-1-amine hydrate dihydrochloride Traditional Name: dimethyl-[(3E)-3-(3-methylthioxanthen-9-ylidene)propyl]amine hydrate dihydrochloride Formula: C38H46Cl2N2OS2 MolecularWeight: 681.82064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CCCN(C)C)C3=CC=CC=C3S2.CC1=CC2=C(C=C1)C(=CCCN(C)C)C3=CC=CC=C3S2.O.Cl.Cl

Isomeric SMILES

CC1=CC2=C(/C(=C/CCN(C)C)/C3=CC=CC=C3S2)C=C1.CC1=CC2=C(/C(=C/CCN(C)C)/C3=CC=CC=C3S2)C=C1.O.Cl.Cl

InChI

InChI=1S/2C19H21NS.2ClH.H2O/c2*1-14-10-11-17-15(8-6-12-20(2)3)16-7-4-5-9-18(16)21-19(17)13-14;;;/h2*4-5,7-11,13H,6,12H2,1-3H3;2*1H;1H2/b2*15-8+;;;