1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propyl-urea

Systemtic Name: 1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propyl-urea Openeye Name: 1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propyl-urea CAS Name: 1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propylurea IUPAC Name: 1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propylurea Traditional Name: 1-(3,4-dihydroisoquinolin-2-ium-1-ylamino)-3-propyl-urea Formula: C13H19N4O+ MolecularWeight: 247.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NNC1=[NH+]CCC2=CC=CC=C21

Isomeric SMILES

CCCNC(=O)NNC1=[NH+]CCC2=CC=CC=C21

InChI

InChI=1S/C13H18N4O/c1-2-8-15-13(18)17-16-12-11-6-4-3-5-10(11)7-9-14-12/h3-6H,2,7-9H2,1H3,(H,14,16)(H2,15,17,18)/p+1