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

Systemtic Name: N-cyclopropyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(4-isopropylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C18H27N3S/c1-14(2)16-5-3-15(4-6-16)13-20-9-11-21(12-10-20)18(22)19-17-7-8-17/h3-6,14,17H,7-13H2,1-2H3,(H,19,22)/p+1