N-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-ethyl-4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-ethyl-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-ethyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-ethyl-4-(4-isopropylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C17H27N3S/c1-4-18-17(21)20-11-9-19(10-12-20)13-15-5-7-16(8-6-15)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/p+1