3-(2,6-diethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2,6-diethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methoxyethyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methoxyethyl)thiourea Formula: C22H38N3OS+ MolecularWeight: 392.62162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCOC)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCOC)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C22H37N3OS/c1-6-18-9-8-10-19(7-2)21(18)23-22(27)25(15-16-26-5)20-11-13-24(14-12-20)17(3)4/h8-10,17,20H,6-7,11-16H2,1-5H3,(H,23,27)/p+1