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

Systemtic Name: 1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-3-propyl-urea Openeye Name: 1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-propyl-urea CAS Name: 1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-3-propylurea IUPAC Name: 1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-propylurea Traditional Name: 1-[(1-benzylpiperidin-1-ium-4-yl)methyl]-3-propyl-urea Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-2-10-18-17(21)19-13-15-8-11-20(12-9-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H2,18,19,21)/p+1