methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]-phenethyl-ammonium Formula: C22H35N4+ MolecularWeight: 355.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4/c1-4-13-26-17-21(19(2)23-26)16-25-14-8-11-22(18-25)24(3)15-12-20-9-6-5-7-10-20/h5-7,9-10,17,22H,4,8,11-16,18H2,1-3H3/p+1/t22-/m0/s1