1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl 4-(phenylmethyl)piperidine-1-carbodithioate

Systemtic Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl 4-(phenylmethyl)piperidine-1-carbodithioate Openeye Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl 4-benzylpiperidine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperidinecarbodithioic acid 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl ester IUPAC Name: 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl 4-benzylpiperidine-1-carbodithioate Traditional Name: 4-benzylpiperidine-1-carbodithioic acid 1H-imidazo[1,2-a]pyrimidin-4-ium-2-ylmethyl ester Formula: C20H23N4S2+ MolecularWeight: 383.55342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)SCC3=C[N+]4=CC=CN=C4N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)SCC3=C[N+]4=CC=CN=C4N3

InChI

InChI=1S/C20H22N4S2/c25-20(26-15-18-14-24-10-4-9-21-19(24)22-18)23-11-7-17(8-12-23)13-16-5-2-1-3-6-16/h1-6,9-10,14,17H,7-8,11-13,15H2/p+1