2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H32N2O3/c1-19(2)27(17-20-8-4-3-5-9-20)25(28)18-26-13-6-10-22(26)21-11-12-23-24(16-21)30-15-7-14-29-23/h3-5,8-9,11-12,16,19,22H,6-7,10,13-15,17-18H2,1-2H3/p+1/t22-/m0/s1