1-[(1S,2S)-2-methylcyclohexyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H32N3S+ MolecularWeight: 346.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3S/c1-16-7-5-6-10-19(16)22-20(24)21-18-11-13-23(14-12-18)15-17-8-3-2-4-9-17/h2-4,8-9,16,18-19H,5-7,10-15H2,1H3,(H2,21,22,24)/p+1/t16-,19-/m0/s1