1-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]-3-naphthalen-1-yl-thiourea

Systemtic Name: 1-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]-3-naphthalen-1-yl-thiourea Openeye Name: 1-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]-3-(1-naphthyl)thiourea CAS Name: 1-[[3-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-3-(1-naphthalenyl)thiourea IUPAC Name: 1-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]-3-naphthalen-1-ylthiourea Traditional Name: 1-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propanoylamino]-3-(1-naphthyl)thiourea Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCC(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1CCC(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H28N4OS/c1-15-7-5-8-16(2)25(15)14-13-20(26)23-24-21(27)22-19-12-6-10-17-9-3-4-11-18(17)19/h3-4,6,9-12,15-16H,5,7-8,13-14H2,1-2H3,(H,23,26)(H2,22,24,27)/p+1/t15-,16-/m1/s1