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

Systemtic Name: 1-(azepan-1-yl)-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(phenylmethyl)piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(3S,4R)-1-benzyl-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propan-1-one Formula: C25H41N3O2+2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O2/c29-25(28-13-6-1-2-7-14-28)11-10-23-21-26(20-22-8-4-3-5-9-22)15-12-24(23)27-16-18-30-19-17-27/h3-5,8-9,23-24H,1-2,6-7,10-21H2/p+2/t23-,24+/m0/s1