methyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]-phenethyl-azanium

Systemtic Name: methyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]-phenethyl-azanium Openeye Name: methyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]-phenethyl-ammonium CAS Name: methyl-[1-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]-phenethylammonium IUPAC Name: methyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]-phenethylazanium Traditional Name: methyl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]-phenethyl-ammonium Formula: C27H40N4O2+2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C27H38N4O2/c1-29(15-11-23-5-3-2-4-6-23)25-12-16-31(17-13-25)26-9-7-24(8-10-26)27(32)28-14-18-30-19-21-33-22-20-30/h2-10,25H,11-22H2,1H3,(H,28,32)/p+2