(4S)-4-piperazin-4-ium-1-yl-2,3-dihydrothiochromene-4-carbonitrile

Systemtic Name: (4S)-4-piperazin-4-ium-1-yl-2,3-dihydrothiochromene-4-carbonitrile Openeye Name: (4S)-4-piperazin-4-ium-1-ylthiochromane-4-carbonitrile CAS Name: (4S)-4-(1-piperazin-4-iumyl)-2,3-dihydro-1-benzothiopyran-4-carbonitrile IUPAC Name: (4S)-4-piperazin-4-ium-1-yl-2,3-dihydrothiochromene-4-carbonitrile Traditional Name: (4S)-4-piperazin-4-ium-1-ylthiochroman-4-carbonitrile Formula: C14H18N3S+ MolecularWeight: 260.37782

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1(C#N)N3CC[NH2+]CC3

Isomeric SMILES

C1CSC2=CC=CC=C2[C@@]1(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C14H17N3S/c15-11-14(17-8-6-16-7-9-17)5-10-18-13-4-2-1-3-12(13)14/h1-4,16H,5-10H2/p+1/t14-/m1/s1