1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(pyrazin-2-ylamino)urea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(pyrazin-2-ylamino)urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(pyrazin-2-ylamino)urea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(2-pyrazinylamino)urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(pyrazin-2-ylamino)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(pyrazin-2-ylamino)urea Formula: C17H23N6O+ MolecularWeight: 327.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NNC2=NC=CN=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NNC2=NC=CN=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O/c24-17(22-21-16-12-18-8-9-19-16)20-15-6-10-23(11-7-15)13-14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,19,21)(H2,20,22,24)/p+1