1-(4-ethoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-p-phenetyl-thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3OS/c1-2-26-21-12-10-20(11-13-21)24-22(27)23-16-18-6-8-19(9-7-18)17-25-14-4-3-5-15-25/h6-13H,2-5,14-17H2,1H3,(H2,23,24,27)/p+1