4-[(7-chloranyl-1-oxidanylidene-8aH-quinolin-1-ium-4-yl)amino]-N,N-bis(2-chloroethyl)pentan-1-amine oxide

Systemtic Name: 4-[(7-chloranyl-1-oxidanylidene-8aH-quinolin-1-ium-4-yl)amino]-N,N-bis(2-chloroethyl)pentan-1-amine oxide Openeye Name: N,N-bis(2-chloroethyl)-4-[(7-chloro-1-oxo-8aH-quinolin-1-ium-4-yl)amino]pentan-1-amine oxide CAS Name: N,N-bis(2-chloroethyl)-4-[(7-chloro-1-oxo-8aH-quinolin-1-ium-4-yl)amino]-1-pentanamine oxide IUPAC Name: N,N-bis(2-chloroethyl)-4-[(7-chloro-1-oxo-8aH-quinolin-1-ium-4-yl)amino]pentan-1-amine oxide Traditional Name: N,N-bis(2-chloroethyl)-4-[(7-chloro-1-keto-8aH-quinolin-1-ium-4-yl)amino]pentan-1-amine oxide Formula: C18H25Cl3N3O2+ MolecularWeight: 421.769

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[N+](CCCl)(CCCl)[O-])NC1=C2C=CC(=CC2[N+](=O)C=C1)Cl

Isomeric SMILES

CC(CCC[N+](CCCl)(CCCl)[O-])NC1=C2C=CC(=CC2[N+](=O)C=C1)Cl

InChI

InChI=1S/C18H25Cl3N3O2/c1-14(3-2-10-24(26,11-7-19)12-8-20)22-17-6-9-23(25)18-13-15(21)4-5-16(17)18/h4-6,9,13-14,18,22H,2-3,7-8,10-12H2,1H3/q+1