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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-propyl-thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-propyl-thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-propylthiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-propylthiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-propyl-thiourea Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3S/c1-2-10-17-16(20)18-15-8-11-19(12-9-15)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,20)/p+1