2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-yl]-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidine

Systemtic Name: 2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-yl]-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidine Openeye Name: 2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-piperidyl]-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidine CAS Name: 2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-piperidinyl]-4-(5-methyl-1-propyl-4-pyrazolyl)pyrimidine IUPAC Name: 2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidin-1-yl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidine Traditional Name: 2-[(3S)-3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]piperidino]-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidine Formula: C21H30N7+ MolecularWeight: 380.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C2=NC(=NC=C2)N3CCCC(C3)C[N+]4=C(NC=C4)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C2=NC(=NC=C2)N3CCC[C@@H](C3)C[N+]4=C(NC=C4)C)C

InChI

InChI=1S/C21H29N7/c1-4-10-28-16(2)19(13-24-28)20-7-8-23-21(25-20)27-11-5-6-18(15-27)14-26-12-9-22-17(26)3/h7-9,12-13,18H,4-6,10-11,14-15H2,1-3H3/p+1/t18-/m1/s1