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

Systemtic Name: 1-(3-ethylphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3S/c1-2-18-7-6-8-21(15-18)24-22(26)23-16-19-9-11-20(12-10-19)17-25-13-4-3-5-14-25/h6-12,15H,2-5,13-14,16-17H2,1H3,(H2,23,24,26)/p+1