4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-7-[(phenylmethyl)amino]-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-7-[(phenylmethyl)amino]-1,3-benzoxazin-3-ium-2-one Openeye Name: 7-(benzylamino)-4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-1,3-benzoxazin-3-ium-2-one CAS Name: 4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-7-[(phenylmethyl)amino]-1,3-benzoxazin-3-ium-2-one IUPAC Name: 7-(benzylamino)-4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 7-(benzylamino)-4,4-bis(4-dimethylaminophenyl)-3,3-dimethyl-1,3-benzoxazin-3-ium-2-one Formula: C33H37N4O2+ MolecularWeight: 521.67248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)NCC4=CC=CC=C4)OC(=O)[N+]2(C)C)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)NCC4=CC=CC=C4)OC(=O)[N+]2(C)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C33H37N4O2/c1-35(2)28-17-12-25(13-18-28)33(26-14-19-29(20-15-26)36(3)4)30-21-16-27(34-23-24-10-8-7-9-11-24)22-31(30)39-32(38)37(33,5)6/h7-22,34H,23H2,1-6H3/q+1