N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-morpholin-4-ium-4-yl-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-morpholin-4-ium-4-yl-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-morpholin-4-ium-4-yl-propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-(4-morpholin-4-iumyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-morpholin-4-ium-4-ylpropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-morpholin-4-ium-4-yl-propionamide Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CC[NH+]4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H31N3O2/c25-21(7-9-23-10-12-26-13-11-23)22-19-6-3-8-24(16-19)20-14-17-4-1-2-5-18(17)15-20/h1-2,4-5,19-20H,3,6-16H2,(H,22,25)/p+2/t19-/m0/s1