[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-ethanoylpiperidin-4-yl)azanium

Systemtic Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(1-ethanoylpiperidin-4-yl)azanium Openeye Name: (1-acetyl-4-piperidyl)-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]ammonium CAS Name: (1-acetyl-4-piperidinyl)-[(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]ammonium IUPAC Name: (1-acetylpiperidin-4-yl)-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]azanium Traditional Name: (1-acetyl-4-piperidyl)-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]ammonium Formula: C21H36N5O+ MolecularWeight: 374.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]C2CCN(CC2)C(=O)C)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]C2CCN(CC2)C(=O)C)N3CCCCCCC3

InChI

InChI=1S/C21H35N5O/c1-16(23-19-9-13-25(14-10-19)18(3)27)20-15-22-21(24-17(20)2)26-11-7-5-4-6-8-12-26/h15-16,19,23H,4-14H2,1-3H3/p+1/t16-/m0/s1