2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-3-[[4-(4-morpholin-4-iumylmethyl)phenoxy]methyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidino]butan-1-one Formula: C23H37N2O3+ MolecularWeight: 389.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCC(C1)COC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)C(=O)N1CCC[C@@H](C1)COC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C23H36N2O3/c1-3-21(4-2)23(26)25-11-5-6-20(17-25)18-28-22-9-7-19(8-10-22)16-24-12-14-27-15-13-24/h7-10,20-21H,3-6,11-18H2,1-2H3/p+1/t20-/m0/s1