N-(3-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(3-methoxyphenyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3-methoxyphenyl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C30H39N3O3+2 MolecularWeight: 489.64896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H37N3O3/c1-35-27-10-5-9-26(20-27)31-30(34)13-12-25-22-32(15-14-29(25)33-16-18-36-19-17-33)21-24-8-4-7-23-6-2-3-11-28(23)24/h2-11,20,25,29H,12-19,21-22H2,1H3,(H,31,34)/p+2/t25-,29+/m0/s1