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1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea
1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(phenylmethyl)thiourea
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Descriptors Computed from Structure
Canonical SMILES:
C1CC[NH+](CC1)C(CNC(=S)NCC2=CC=CC=C2)C3=CC=CO3
Isomeric SMILES
C1CC[NH+](CC1)[C@@H](CNC(=S)NCC2=CC=CC=C2)C3=CC=CO3
InChI
InChI=1S/C19H25N3OS/c24-19(20-14-16-8-3-1-4-9-16)21-15-17(18-10-7-13-23-18)22-11-5-2-6-12-22/h1,3-4,7-10,13,17H,2,5-6,11-12,14-15H2,(H2,20,21,24)/p+1/t17-/m0/s1
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