7-chloranyl-N-(phenylmethyl)-4-[(phenylmethyl)amino]quinolin-1-ium-2-carboxamide

Systemtic Name: 7-chloranyl-N-(phenylmethyl)-4-[(phenylmethyl)amino]quinolin-1-ium-2-carboxamide Openeye Name: N-benzyl-4-(benzylamino)-7-chloro-quinolin-1-ium-2-carboxamide CAS Name: 7-chloro-N-(phenylmethyl)-4-[(phenylmethyl)amino]-2-quinolin-1-iumcarboxamide IUPAC Name: N-benzyl-4-(benzylamino)-7-chloroquinolin-1-ium-2-carboxamide Traditional Name: N-benzyl-4-(benzylamino)-7-chloro-quinolin-1-ium-2-carboxamide Formula: C24H21ClN3O+ MolecularWeight: 402.89604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=[NH+]C3=C2C=CC(=C3)Cl)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=[NH+]C3=C2C=CC(=C3)Cl)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H20ClN3O/c25-19-11-12-20-21(26-15-17-7-3-1-4-8-17)14-23(28-22(20)13-19)24(29)27-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,28)(H,27,29)/p+1