3-(5-chloranyl-2-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methoxyethyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(1-isopropylpiperidin-1-ium-4-yl)-1-(2-methoxyethyl)thiourea Formula: C19H31ClN3OS+ MolecularWeight: 384.98694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCOC)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCOC)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C19H30ClN3OS/c1-14(2)22-9-7-17(8-10-22)23(11-12-24-4)19(25)21-18-13-16(20)6-5-15(18)3/h5-6,13-14,17H,7-12H2,1-4H3,(H,21,25)/p+1