(1,2-dimethylindol-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (1,2-dimethylindol-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (1,2-dimethylindol-3-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (1,2-dimethyl-3-indolyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (1,2-dimethylindol-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (1,2-dimethylindol-3-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5/c1-15-18(17-8-3-4-9-19(17)24(15)2)13-23-16-7-5-12-25(14-16)20-21-10-6-11-22-20/h3-4,6,8-11,16,23H,5,7,12-14H2,1-2H3/p+1/t16-/m0/s1