1-(phenylmethyl)-3-prop-2-enyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(phenylmethyl)-3-prop-2-enyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-allyl-1-benzyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(phenylmethyl)-3-prop-2-enyl-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-benzyl-3-prop-2-enyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-allyl-1-benzyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C20H32N3S+ MolecularWeight: 346.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CC=C2)C(=S)NCC=C)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CC=C2)C(=S)NCC=C)C

InChI

InChI=1S/C20H31N3S/c1-6-12-21-18(24)23(15-16-10-8-7-9-11-16)17-13-19(2,3)22-20(4,5)14-17/h6-11,17,22H,1,12-15H2,2-5H3,(H,21,24)/p+1