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

Systemtic Name: N-(2-methoxyethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-isopropylbenzyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3OS/c1-15(2)17-6-4-16(5-7-17)14-20-9-11-21(12-10-20)18(23)19-8-13-22-3/h4-7,15H,8-14H2,1-3H3,(H,19,23)/p+1