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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3OS/c1-26-21-11-9-19(10-12-21)16-24-22(27)23-15-18-5-7-20(8-6-18)17-25-13-3-2-4-14-25/h5-12H,2-4,13-17H2,1H3,(H2,23,24,27)/p+1