[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(4-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C26H31N2O5+ MolecularWeight: 451.53474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H30N2O5/c1-30-22-10-9-18(20-7-5-6-8-21(20)22)17-27-11-13-28(14-12-27)26(29)19-15-23(31-2)25(33-4)24(16-19)32-3/h5-10,15-16H,11-14,17H2,1-4H3/p+1