2,3-dihydro-1H-inden-2-yl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: indan-2-yl-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C27H38N4O2+2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

C1CN(CCC1[NH2+]C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C27H36N4O2/c32-27(28-11-14-30-15-17-33-18-16-30)21-5-7-26(8-6-21)31-12-9-24(10-13-31)29-25-19-22-3-1-2-4-23(22)20-25/h1-8,24-25,29H,9-20H2,(H,28,32)/p+2