1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea

Systemtic Name: 1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Openeye Name: 1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea CAS Name: 1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea IUPAC Name: 1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Traditional Name: 1-(4-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea Formula: C13H18ClN4O+ MolecularWeight: 281.76122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NNC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(=[NH+]CC1)NNC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN4O/c14-10-5-7-11(8-6-10)16-13(19)18-17-12-4-2-1-3-9-15-12/h5-8H,1-4,9H2,(H,15,17)(H2,16,18,19)/p+1