2-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[8-methyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl]butanamide

Systemtic Name: 2-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[8-methyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-1-ium-3-yl]methyl]butanamide Openeye Name: 2-ethyl-N-[[2-[(3S)-3-hydroxy-1-piperidyl]-8-methyl-quinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-ethyl-N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-8-methyl-3-quinolin-1-iumyl]methyl]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-ethyl-N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-8-methylquinolin-1-ium-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-ethyl-N-[[2-[(3S)-3-hydroxypiperidino]-8-methyl-quinolin-1-ium-3-yl]methyl]-N-p-anisyl-butyramide Formula: C30H40N3O3+ MolecularWeight: 490.6569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC=C(C=C1)OC)CC2=C([NH+]=C3C(=CC=CC3=C2)C)N4CCCC(C4)O

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC=C(C=C1)OC)CC2=C([NH+]=C3C(=CC=CC3=C2)C)N4CCC[C@@H](C4)O

InChI

InChI=1S/C30H39N3O3/c1-5-23(6-2)30(35)33(18-22-12-14-27(36-4)15-13-22)19-25-17-24-10-7-9-21(3)28(24)31-29(25)32-16-8-11-26(34)20-32/h7,9-10,12-15,17,23,26,34H,5-6,8,11,16,18-20H2,1-4H3/p+1/t26-/m0/s1