(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C16H29N4+ MolecularWeight: 277.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CCCC(C2)[NH+]3CCCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CCC[C@@H](C2)[NH+]3CCCC3

InChI

InChI=1S/C16H28N4/c1-14(2)20-12-15(10-17-20)11-18-7-5-6-16(13-18)19-8-3-4-9-19/h10,12,14,16H,3-9,11,13H2,1-2H3/p+1/t16-/m0/s1