[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium

Systemtic Name: [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium Openeye Name: [(4S)-4-azaniumyl-5-(2-naphthylamino)-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [(4S)-4-ammonio-5-(2-naphthalenylamino)-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [(4S)-4-ammonio-5-keto-5-(2-naphthylamino)pentyl]-(diaminomethylene)ammonium Formula: C16H23N5O+2 MolecularWeight: 301.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CCC[NH+]=C(N)N)[NH3+]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]

InChI

InChI=1S/C16H21N5O/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20)/p+2/t14-/m0/s1