N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-chromene-3-carboxamide

Systemtic Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-chromene-3-carboxamide Openeye Name: N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-chromene-3-carboxamide CAS Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2H-chromene-3-carboxamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-2H-chromene-3-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C25H29N3O3/c1-19-6-5-7-20(14-19)16-27-10-12-28(13-11-27)24(29)17-26(2)25(30)22-15-21-8-3-4-9-23(21)31-18-22/h3-9,14-15H,10-13,16-18H2,1-2H3/p+1