1-butyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-butyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-butyl-thiourea CAS Name: 1-butyl-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-butylthiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-butyl-thiourea Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3S/c1-2-3-11-18-17(21)19-16-9-12-20(13-10-16)14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H2,18,19,21)/p+1