(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]prop-2-enamide Openeye Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-isopropoxy-3-methoxy-phenyl)acrylamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O3/c1-18(2)29-22-11-9-19(15-23(22)28-3)10-12-24(27)25-21-13-14-26(17-21)16-20-7-5-4-6-8-20/h4-12,15,18,21H,13-14,16-17H2,1-3H3,(H,25,27)/p+1/b12-10+/t21-/m0/s1