dimethyl-[(3S)-1-[5-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propylcarbamoyl]pyridin-2-yl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[5-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propylcarbamoyl]pyridin-2-yl]pyrrolidin-3-yl]azanium Openeye Name: [(3S)-1-[5-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propylcarbamoyl]-2-pyridyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: dimethyl-[(3S)-1-[5-[oxo-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propylamino]methyl]-2-pyridinyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[5-[3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propylcarbamoyl]pyridin-2-yl]pyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-[5-[3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propylcarbamoyl]-2-pyridyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CCCNC(=O)C2=CN=C(C=C2)N3CCC(C3)[NH+](C)C

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CCCNC(=O)C2=CN=C(C=C2)N3CC[C@@H](C3)[NH+](C)C

InChI

InChI=1S/C21H32N6O/c1-16(2)20-22-10-13-26(20)11-5-9-23-21(28)17-6-7-19(24-14-17)27-12-8-18(15-27)25(3)4/h6-7,10,13-14,16,18H,5,8-9,11-12,15H2,1-4H3,(H,23,28)/p+2/t18-/m0/s1