[3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-morpholin-4-yl-methanone Openeye Name: [3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-morpholino-methanone CAS Name: [3-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-morpholin-4-ylmethanone Traditional Name: [3-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]oxyphenyl]-morpholino-methanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H32N2O3/c1-19-6-7-20(2)22(16-19)18-26-10-8-23(9-11-26)30-24-5-3-4-21(17-24)25(28)27-12-14-29-15-13-27/h3-7,16-17,23H,8-15,18H2,1-2H3/p+1