(2S)-1-(4-azanylpiperidin-1-yl)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butan-1-one

Systemtic Name: (2S)-1-(4-azanylpiperidin-1-yl)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butan-1-one Openeye Name: (2S)-1-(4-amino-1-piperidyl)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]butan-1-one CAS Name: (2S)-1-(4-amino-1-piperidinyl)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-butanone IUPAC Name: (2S)-1-(4-aminopiperidin-1-yl)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butan-1-one Traditional Name: (2S)-1-(4-aminopiperidino)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]butan-1-one Formula: C18H30N4O MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)N)N(C)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)N)N(C)CCC2=CC=NC=C2

InChI

InChI=1S/C18H30N4O/c1-14(2)17(18(23)22-12-7-16(19)8-13-22)21(3)11-6-15-4-9-20-10-5-15/h4-5,9-10,14,16-17H,6-8,11-13,19H2,1-3H3/t17-/m0/s1