1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-naphthylmethyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(2-naphthalenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-naphthylmethyl)piperidin-1-ium-3-yl]propan-1-one Formula: C29H43N3O2+2 MolecularWeight: 465.67062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H41N3O2/c33-29(32-14-5-1-2-6-15-32)12-11-27-23-30(16-13-28(27)31-17-19-34-20-18-31)22-24-9-10-25-7-3-4-8-26(25)21-24/h3-4,7-10,21,27-28H,1-2,5-6,11-20,22-23H2/p+2/t27-,28+/m0/s1