1-[3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]propanoylamino]-3-phenyl-thiourea Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N4O2S/c1-29-21-12-10-18(16-19(21)17-27-14-6-3-7-15-27)11-13-22(28)25-26-23(30)24-20-8-4-2-5-9-20/h2,4-5,8-10,12,16H,3,6-7,11,13-15,17H2,1H3,(H,25,28)(H2,24,26,30)/p+1