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

Systemtic Name: N-propan-2-yl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-isopropyl-4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-propan-2-yl-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-propan-2-yl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-(4-isopropylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC(C)C

InChI

InChI=1S/C18H29N3S/c1-14(2)17-7-5-16(6-8-17)13-20-9-11-21(12-10-20)18(22)19-15(3)4/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1