[(3S)-1-(4-tert-butylphenyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(4-tert-butylphenyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(4-tert-butylbenzoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(4-tert-butylphenyl)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(4-tert-butylbenzoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H33N3O/c1-5-26(17-19-12-14-25-15-13-19)22-7-6-16-27(18-22)23(28)20-8-10-21(11-9-20)24(2,3)4/h8-15,22H,5-7,16-18H2,1-4H3/p+1/t22-/m0/s1