dimethyl-[(3S)-1-[5-[methyl(quinolin-2-ylmethyl)carbamoyl]pyridin-1-ium-2-yl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[5-[methyl(quinolin-2-ylmethyl)carbamoyl]pyridin-1-ium-2-yl]pyrrolidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[5-[methyl(2-quinolylmethyl)carbamoyl]pyridin-1-ium-2-yl]pyrrolidin-3-yl]ammonium CAS Name: dimethyl-[(3S)-1-[5-[[methyl(2-quinolinylmethyl)amino]-oxomethyl]-2-pyridin-1-iumyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[5-[methyl(quinolin-2-ylmethyl)carbamoyl]pyridin-1-ium-2-yl]pyrrolidin-3-yl]azanium Traditional Name: dimethyl-[(3S)-1-[5-[methyl(2-quinolylmethyl)carbamoyl]pyridin-1-ium-2-yl]pyrrolidin-3-yl]ammonium Formula: C23H29N5O+2 MolecularWeight: 391.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C2=[NH+]C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C2=[NH+]C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H27N5O/c1-26(2)20-12-13-28(16-20)22-11-9-18(14-24-22)23(29)27(3)15-19-10-8-17-6-4-5-7-21(17)25-19/h4-11,14,20H,12-13,15-16H2,1-3H3/p+2/t20-/m0/s1